56151009
  -OEChem-05082413042D

 39 41  0     0  0  0  0  0  0999 V2000
   10.1921    2.2964    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2386   -0.3489    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3151    1.0632    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8265   -0.2725    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353   -0.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9030    1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5708    0.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.9345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.4022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -2.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -1.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.8204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8640    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7318    0.3441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532    3.0898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384    3.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 16  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56151009

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IcAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHwAQAAAADAiBnhgywPLJkACoAyVyVACCgCAhAiAImSEwZJgIIPLAlZGEIAhglADIyAccicCegAAAQAACAAAAAACAAAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14F4N2O/c1-10-13(12-4-2-3-5-16(12)23-10)9-17(25)24-11-6-7-15(19)14(8-11)18(20,21)22/h2-8,23H,9H2,1H3,(H,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
RUMAXFIPSYWHSH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
350.10422572

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14F4N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
350.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C2=CC=CC=C2N1)CC(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
44.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.10422572

> <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
13  17  8
15  18  8
17  18  8
19  20  8
19  22  8
20  21  8
21  23  8
22  24  8
23  24  8
6  10  8
6  11  8
8  10  8
8  9  8
9  11  8
9  13  8

$$$$