9397906
  -OEChem-06192423182D

 30 31  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
    5.4921    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
    3.7320    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
    2.9230    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    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
    2.8660    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
    4.5981   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -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
    2.3566    3.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    2.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    3.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    4.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -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 17  1  0  0  0  0
  2  9  2  0  0  0  0
  3 16  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 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 12 15  2  0  0  0  0
 12 25  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9397906

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgIQAAAACAvBkEQwwIPAAACIACVSUACCAAAhAgAIiAEIZIhIIDLAkZHEIAhglgDIyAcUAAAAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-[4-(2-ketopyrrolidino)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13ClN2O2/c13-8-11(16)14-9-3-5-10(6-4-9)15-7-1-2-12(15)17/h3-6H,1-2,7-8H2,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
DHDWJIRQYIOVEX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
252.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
252.69

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

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

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
252.0665554

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  12  8
11  14  8
12  15  8
13  14  8
13  15  8

$$$$
