25149757
  -OEChem-05122415222D

 28 29  0     1  0  0  0  0  0999 V2000
    2.0000    0.4216    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    1.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.3831    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.8335    1.3831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.2264    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1279   -0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.6657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.9931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5888   -0.1636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656   -2.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0476   -2.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4443   -2.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    0.9216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7334    2.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3367    2.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548    2.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 14 24  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25149757

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
259

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADQrBmCQywIPAAACIAiVSUACCAAAhBwAIiIEIZogIIDrB15GEIAhgkgDIyAcciMCOgABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-N,1-dimethyl-indoline-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-N,1-dimethyl-2,3-dihydroindole-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-<I>N</I>,1-dimethyl-2,3-dihydroindole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-chloro-N,1-dimethyl-2,3-dihydroindole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-N,1-dimethyl-2,3-dihydroindole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-N,1-dimethyl-indoline-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H13ClN2O/c1-13-11(15)9-6-14(2)10-4-3-7(12)5-8(9)10/h3-5,9H,6H2,1-2H3,(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
OFEQFWDFZULXQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
224.0716407

> <PUBCHEM_MOLECULAR_FORMULA>
C11H13ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
224.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1CN(C2=C1C=C(C=C2)Cl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1CN(C2=C1C=C(C=C2)Cl)C

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
224.0716407

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  13  8
12  14  8
13  14  8
5  9  3
7  10  8
7  8  8
8  12  8

$$$$