43553237
  -OEChem-05052421202D

 29 30  0     1  0  0  0  0  0999 V2000
    2.0000   -0.5681    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    0.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.1872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.3728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.5007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.7633    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.6486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -0.2263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1236    1.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5303    1.4313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400    2.6285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0192    2.9621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6 17  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43553237

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
324

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDrB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(5-chloro-2-oxo-indolin-3-yl)amino]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

> <PUBCHEM_IUPAC_NAME>
3-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(5-chloranyl-2-oxidanylidene-1,3-dihydroindol-3-yl)amino]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(5-chloro-2-keto-indolin-3-yl)amino]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H12ClN3O2/c12-6-1-2-8-7(5-6)10(11(17)15-8)14-4-3-9(13)16/h1-2,5,10,14H,3-4H2,(H2,13,16)(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
RWWDLQGOXIYAGH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.5

> <PUBCHEM_EXACT_MASS>
253.0618043

> <PUBCHEM_MOLECULAR_FORMULA>
C11H12ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
253.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C1Cl)C(C(=O)N2)NCCC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C1Cl)C(C(=O)N2)NCCC(=O)N

> <PUBCHEM_CACTVS_TPSA>
84.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.0618043

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
12  15  8
13  16  8
15  16  8
7  4  3
8  12  8
8  9  8
9  13  8

$$$$