67247022
  -OEChem-05062406052D

 40 42  0     0  0  0  0  0  0999 V2000
    2.0000    3.2158    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7690   -0.3643    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    2.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.6961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    3.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4118   -2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796   -1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7225   -3.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582   -1.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010   -3.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688   -2.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    3.3298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    3.5875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -0.1591    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364   -0.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432   -0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195   -1.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4127   -2.4726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301   -1.1576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3084   -3.4711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4722   -1.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936   -3.8052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9755   -2.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 20  1  0  0  0  0
  3 10  2  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  2  0  0  0  0
 12 29  1  0  0  0  0
 13 18  2  0  0  0  0
 13 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67247022

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
474

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIQAAAADArBmCQwwIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDLBl7GUIAhglgDIyAcciICOAABAIAADAAAAAIBAAAYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-chloro-2-oxo-indolin-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5-chloro-2-oxo-3<I>H</I>-indol-1-yl)-<I>N</I>-[2-(2-chlorophenyl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-chloranyl-2-oxidanylidene-3H-indol-1-yl)-N-[2-(2-chlorophenyl)ethyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-chloro-2-keto-indolin-1-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16Cl2N2O2/c19-14-5-6-16-13(9-14)10-18(24)22(16)11-17(23)21-8-7-12-3-1-2-4-15(12)20/h1-6,9H,7-8,10-11H2,(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
QCZFTJQMHLBFKY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
362.0588831

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16Cl2N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
363.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)NCCC3=CC=CC=C3Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2=C(C=CC(=C2)Cl)N(C1=O)CC(=O)NCCC3=CC=CC=C3Cl

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
362.0588831

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
12  17  8
13  18  8
17  18  8
19  20  8
19  21  8
20  22  8
21  23  8
22  24  8
23  24  8
7  12  8
7  8  8
8  13  8

$$$$