54687591
  -OEChem-05062421032D

 39 41  0     0  0  0  0  0  0999 V2000
    6.3301   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4 11  1  0  0  0  0
  4 39  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  2  0  0  0  0
 19 34  1  0  0  0  0
 20 24  2  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 22 25  2  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54687591

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
558

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MQAGAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHwIACAAADAbBmCwwAIMAAgCIAiFWUACCAAAgJwAIiAEIBsgIJDKBkxGEIAhghgCImQcYiICOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxy-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

> <PUBCHEM_IUPAC_NAME>
1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2,4-dichlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-oxidanyl-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2,4-dichlorobenzyl)-3-(4-fluorobenzyl)-4-hydroxy-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14Cl2FNO2/c20-14-4-3-13(17(21)10-14)11-23-8-7-18(24)16(19(23)25)9-12-1-5-15(22)6-2-12/h1-8,10,24H,9,11H2

> <PUBCHEM_IUPAC_INCHIKEY>
MAEWBHPRDHUYOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
377.0385622

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14Cl2FNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
378.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CC2=C(C=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl)O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CC2=C(C=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl)O)F

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
377.0385622

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  15  8
12  16  8
12  17  8
13  18  8
13  19  8
14  15  8
16  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  24  8
22  25  8
23  25  8
6  10  8
6  14  8
7  10  8
7  11  8

$$$$