43298711
  -OEChem-06192423202D

 22 22  0     0  0  0  0  0  0999 V2000
    7.0532    1.0430    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1213    1.5607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6730   -0.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7071    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801    0.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3461    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728   -0.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -1.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -0.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691    0.7084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1992    0.5021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8335   -0.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0840   -0.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8539   -0.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43298711

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
123

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiIAAEAAAAAAAAAAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAHgIQAAAADQPBgEQAAALAAAAIAAEQEAAAAAAAAAAAAIAIAABAAAIAgABEAAAAFgCAAAAQAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(cyclobutylmethyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(cyclobutylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(cyclobutylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(cyclobutylmethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(cyclobutylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(cyclobutylmethyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H12ClNO/c8-4-7(10)9-5-6-2-1-3-6/h6H,1-5H2,(H,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
IFFTTXLMPIOZEP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
161.0607417

> <PUBCHEM_MOLECULAR_FORMULA>
C7H12ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
161.63

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(C1)CNC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(C1)CNC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
161.0607417

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$
