50988900
  -OEChem-06192423222D

 33 34  0     0  0  0  0  0  0999 V2000
    2.0000   -3.7694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    2.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5831    2.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8395    3.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706    3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576    3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.1868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.8771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  9  2  0  0  0  0
  3 17  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
50988900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
322

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQAAAADAvBmEQwwIPAAACIAiVSUACCAAAhAgAIiIEIZIhIIDLAkZHEIAhglgDIyAcUgAAOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[[3-(2-oxo-1-pyrrolidinyl)phenyl]methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[3-(2-ketopyrrolidino)benzyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H15ClN2O2/c14-8-12(17)15-9-10-3-1-4-11(7-10)16-6-2-5-13(16)18/h1,3-4,7H,2,5-6,8-9H2,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
RSVQFDBYPXKWRZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
266.0822054

> <PUBCHEM_MOLECULAR_FORMULA>
C13H15ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(=O)N(C1)C2=CC=CC(=C2)CNC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.0822054

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
10  11  8
10  13  8
11  12  8
12  15  8
13  16  8
15  16  8

$$$$
