24818225
  -OEChem-04252412532D

 47 48  0     1  0  0  0  0  0999 V2000
    2.0000    3.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    4.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -5.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -3.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -4.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
  5 29  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
  9 39  1  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 40  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 25  2  0  0  0  0
 21 42  1  0  0  0  0
 22 27  1  0  0  0  0
 22 43  1  0  0  0  0
 23 28  2  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 45  1  0  0  0  0
 27 29  2  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24818225

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
556

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7McAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwIQAAAADArBmDwywIPAAACIAiVSUACCAAAhBwAIiICIZogIYCLBk7GUIAhglgDIyAcQgAAOAABAQAABAAAAAICAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl]-methyl-amino]-N-[(4-fluorophenyl)methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-<I>N</I>-[(4-fluorophenyl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl]-methyl-amino]-N-(4-fluorobenzyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18ClF4N3O2/c1-27(10-17(28)25-9-12-2-4-13(21)5-3-12)11-18(29)26-14-6-7-16(20)15(8-14)19(22,23)24/h2-8H,9-11H2,1H3,(H,25,28)(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
QIHFXGAGZJAPTR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.3

> <PUBCHEM_EXACT_MASS>
431.1023672

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18ClF4N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
431.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC(=O)NCC1=CC=C(C=C1)F)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
61.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.1023672

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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>
17  19  8
17  21  8
18  22  8
18  23  8
19  20  8
20  24  8
21  25  8
22  27  8
23  28  8
24  25  8
27  29  8
28  29  8

$$$$