2566070
  -OEChem-06192423172D

 36 36  0     0  0  0  0  0  0999 V2000
    7.0000    2.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9766   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1015   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8985   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    0.7790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0369    1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    1.9700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9631    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    0.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    1.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2566070

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
213

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHgIQAAAADIvBgEQCAAPAAAAIAAEQEAAAAAAAAAAAAIAIAABAQAIAgABUAAAAFgCAAAEQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-[[1-(dimethylamino)cyclohexyl]methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[[1-(dimethylamino)cyclohexyl]methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H21ClN2O/c1-14(2)11(6-4-3-5-7-11)9-13-10(15)8-12/h3-9H2,1-2H3,(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
ICIGXMKPOAIAKM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
232.1342410

> <PUBCHEM_MOLECULAR_FORMULA>
C11H21ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
232.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1(CCCCC1)CNC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1(CCCCC1)CNC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.1342410

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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

$$$$
