55765259
  -OEChem-05102418342D

 53 56  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0816    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0976    3.4757    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5098    3.3992    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0617   -0.5777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4153   -0.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.8864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    0.8304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0582    1.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1226    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4118    2.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0796    1.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7690    0.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7260    0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7045    1.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3723    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0152    2.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3508    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9937    2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6615    1.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    0.2933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1279   -1.4616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    1.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5979   -0.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6044    2.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1830    0.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2508    2.2446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6011    2.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    0.1176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1863    2.8632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2682    1.6574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
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  6 19  2  0  0  0  0
  7 29  2  0  0  0  0
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  8 14  1  0  0  0  0
  8 38  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 44  1  0  0  0  0
 10 26  1  0  0  0  0
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 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
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 27 48  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
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 35 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55765259

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
766

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7McAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAQAAAADAiBnhgywPLJkACoAyVyVACCgCAlAiAImSEwZNgIIPLAlZGEIQhglADIyYccicCegACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-fluoro-N-[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-fluoro-N-[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-fluoro-<I>N</I>-[4-[[2-(5-fluoro-2-methyl-1<I>H</I>-indol-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
2-fluoro-N-[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-fluoranyl-N-[4-[2-(5-fluoranyl-2-methyl-1H-indol-3-yl)ethanoylamino]-3-(trifluoromethyl)phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-fluoro-N-[4-[[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H18F5N3O2/c1-13-17(18-10-14(26)6-8-21(18)31-13)12-23(34)33-22-9-7-15(11-19(22)25(28,29)30)32-24(35)16-4-2-3-5-20(16)27/h2-11,31H,12H2,1H3,(H,32,35)(H,33,34)

> <PUBCHEM_IUPAC_INCHIKEY>
XKCKAIYXUYZXOK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
487.13191764

> <PUBCHEM_MOLECULAR_FORMULA>
C25H18F5N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
487.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4F)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4F)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
74

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
487.13191764

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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  12  8
11  13  8
12  14  8
12  16  8
14  17  8
16  21  8
17  22  8
20  23  8
20  24  8
21  22  8
23  25  8
24  27  8
25  26  8
26  27  8
30  31  8
30  32  8
31  33  8
32  34  8
33  35  8
34  35  8
8  13  8
8  14  8

$$$$