68279658
  -OEChem-05102405002D

 27 28  0     0  0  0  0  0  0999 V2000
    2.0000    2.1867    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.3820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.7253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -1.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    2.5584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301   -2.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9948   -2.5382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7293   -2.0593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2505   -1.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  9  2  0  0  0  0
  3 15  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 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68279658

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADArBmCQywIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBl7GUIAhglgDIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-chloro-2-oxo-indolin-1-yl)-N-methyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-methylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5-chloro-2-oxo-3<I>H</I>-indol-1-yl)-<I>N</I>-methylacetamide

> <PUBCHEM_IUPAC_NAME>
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-methylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-chloranyl-2-oxidanylidene-3H-indol-1-yl)-N-methyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-chloro-2-keto-indolin-1-yl)-N-methyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11ClN2O2/c1-13-10(15)6-14-9-3-2-8(12)4-7(9)5-11(14)16/h2-4H,5-6H2,1H3,(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
SDIVZKDTMXILQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
238.0509053

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
238.67

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)CN1C(=O)CC2=C1C=CC(=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)CN1C(=O)CC2=C1C=CC(=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
238.0509053

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  13  8
12  14  8
13  14  8
6  11  8
6  7  8
7  12  8

$$$$