54682628
  -OEChem-04262406352D

 48 50  0     0  0  0  0  0  0999 V2000
    4.2704    4.1897    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6689    0.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1506   -3.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6865    3.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4185   -2.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6865    0.3103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5525   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4185   -3.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5525   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6865   -0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845   -4.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1506   -2.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5525    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6865    2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5525    1.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    2.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    3.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    1.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    3.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    1.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9419   -2.0820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3404   -2.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079   -3.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2065   -4.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831   -1.7148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8860   -1.7148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631   -1.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7646   -0.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759   -0.5820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4744   -1.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8860   -4.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6831   -4.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7611   -2.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3626   -2.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4517    2.6805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424    1.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894    2.1203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2234    3.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435    1.4166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.9390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  2  0  0  0  0
  5 19  1  0  0  0  0
  5 45  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 13  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 14  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54682628

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAEAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAAABAAAAHwIACAAADAbhmC4wAIMABgCIAiFWUACCAAAgJwAIiAEIAsgKJDKB0xCHIAAghgCYmQcYiICOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(2-chloro-6-fluoro-phenyl)methyl]-4-hydroxy-1-(3-morpholinopropyl)pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-[3-(4-morpholinyl)propyl]-2-pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one

> <PUBCHEM_IUPAC_NAME>
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1-(3-morpholin-4-ylpropyl)pyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-(3-morpholin-4-ylpropyl)-4-oxidanyl-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-chloro-6-fluoro-benzyl)-4-hydroxy-1-(3-morpholinopropyl)-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22ClFN2O3/c20-16-3-1-4-17(21)14(16)13-15-18(24)5-8-23(19(15)25)7-2-6-22-9-11-26-12-10-22/h1,3-5,8,24H,2,6-7,9-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
NEHOGKXGYWUECI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
380.1302984

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22ClFN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
380.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1CCCN2C=CC(=C(C2=O)CC3=C(C=CC=C3Cl)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1CCCN2C=CC(=C(C2=O)CC3=C(C=CC=C3Cl)F)O

> <PUBCHEM_CACTVS_TPSA>
53

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.1302984

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
15  16  8
16  19  8
17  20  8
19  20  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
7  15  8
7  17  8

$$$$