55933238
  -OEChem-04262406362D

 47 49  0     0  0  0  0  0  0999 V2000
    2.3660   -3.4330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.7010    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    1.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    3.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    4.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 30  1  0  0  0  0
  3 30  1  0  0  0  0
  4 20  1  0  0  0  0
  4 30  1  0  0  0  0
  5 13  2  0  0  0  0
  6 23  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 33  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 35  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 22  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 28  2  0  0  0  0
 26 44  1  0  0  0  0
 27 29  2  0  0  0  0
 27 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55933238

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
571

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQAAAADAyBmBAwxoLABACIAiVSUACCCAAlIgAIiAEGfMgMZjLEtZuUMShk1BHI6YeYyICOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[[1-oxo-2-[4-(trifluoromethoxy)phenyl]ethyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[2-[4-(trifluoromethyloxy)phenyl]ethanoylamino]phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17F3N2O3/c23-22(24,25)30-17-12-10-15(11-13-17)14-20(28)26-18-8-4-5-9-19(18)27-21(29)16-6-2-1-3-7-16/h1-13H,14H2,(H,26,28)(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
SGTKNRSIEOKFTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
414.11912689

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17F3N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
414.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)OC(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)CC3=CC=C(C=C3)OC(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
414.11912689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
10  14  8
10  15  8
11  12  8
11  16  8
12  17  8
14  18  8
15  19  8
16  21  8
17  22  8
18  20  8
19  20  8
21  22  8
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8

$$$$