54702899
  -OEChem-05102415292D

 33 34  0     0  0  0  0  0  0999 V2000
    2.0000    1.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.4050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -3.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 31  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 20  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54702899

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
504

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAGAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgIQCAAADAbBmCQwAINAAgCIAiFWUACCAAAgJwAIiAGIAsgIZDKBkzCUIAAglgCImQcYiICOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-1-pyridinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxopyridin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-oxopyridin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-[(2,4-dichlorophenyl)methyl]-4-oxidanyl-2-oxidanylidene-pyridin-1-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(2,4-dichlorobenzyl)-4-hydroxy-2-keto-1-pyridyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12Cl2N2O3/c15-9-2-1-8(11(16)6-9)5-10-12(19)3-4-18(14(10)21)7-13(17)20/h1-4,6,19H,5,7H2,(H2,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
FGGUPIWYJXQKFL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
326.0224976

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12Cl2N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
327.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)Cl)CC2=C(C=CN(C2=O)CC(=O)N)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)Cl)CC2=C(C=CN(C2=O)CC(=O)N)O

> <PUBCHEM_CACTVS_TPSA>
83.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.0224976

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  16  8
11  17  8
12  15  8
14  15  8
16  18  8
17  19  8
18  21  8
19  21  8
6  10  8
6  14  8
8  10  8
8  12  8

$$$$