25323326
  -OEChem-06192423192D

 38 40  0     0  0  0  0  0  0999 V2000
    2.0000    2.0918    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8100   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100    1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    0.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3179   -0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3398   -0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179   -1.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2353   -1.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488   -2.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -0.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840    1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    0.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160    0.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    1.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9160    1.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    1.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7160   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7160    1.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -0.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2328   -1.8094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195   -0.9842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288   -1.5561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0437   -2.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8388   -2.6287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504   -2.4562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708    0.9104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -1.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470    1.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.1374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707    1.8044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373    2.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9251   -0.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269    0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269    0.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9251    1.6219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 15  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  1  0  0  0  0
  3 20  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25323326

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAEAAAAAAAAAAAAAAAAAYAAAAA0QAAAAAAAAACRAAAAHgIQAAAADI+hmEIwBoLABACIAiFSEACCCAAgIAAIiAAGjIhNJiKEsRvGOCrk1BGKqAew0PMOoAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H18ClNO3/c16-10-14(18)17-15(5-1-2-6-15)11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9H,1-2,5-8,10H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
IWGQITPDBXONGR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
295.0975211

> <PUBCHEM_MOLECULAR_FORMULA>
C15H18ClNO3

> <PUBCHEM_MOLECULAR_WEIGHT>
295.76

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
47.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.0975211

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  13  8
12  15  8
13  16  8
15  17  8
16  17  8

$$$$
