11167602
  -OEChem-05132404442D

 48 50  0     0  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
    8.0622   -0.7500    0.0000 F   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
    6.3301   -3.7500    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
    9.7942   -2.7500    0.0000 O   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
    6.3301    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.2500    0.0000 N   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
    3.7320    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    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
    6.3301   -2.7500    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
    2.8660    3.2500    0.0000 C   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
    5.4641   -1.2500    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   -2.2500    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
    5.4641    0.7500    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
    7.1962   -4.2500    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
    8.9282   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.7500    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
   11.5263   -3.7500    0.0000 C   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
    6.0010    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.5600    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
    8.0622   -3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -4.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
  5 26  1  0  0  0  0
  6 17  1  0  0  0  0
  6 27  1  0  0  0  0
  7 25  2  0  0  0  0
  8 32  2  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
  9 36  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 10 38  1  0  0  0  0
 11 29  2  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 45  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  2  0  0  0  0
 14 26  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 34  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  2  0  0  0  0
 18 35  1  0  0  0  0
 19 24  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 37  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 28 42  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 30 43  1  0  0  0  0
 31 44  1  0  0  0  0
 33 46  1  0  0  0  0
 33 47  1  0  0  0  0
 33 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11167602

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
686

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7scAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHwIQAAAADA7Bnjw/xpLIFACoAzV3VACCiCA3JyAI2KG+btiMZnLFt7uWOSju1hvI6ae6yAAOAEBAQAABAAAAgICAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-N-methyl-pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-<I>N</I>-methylpyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoranyl-phenoxy]-N-methyl-pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluoro-phenoxy]-N-methyl-picolinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)

> <PUBCHEM_IUPAC_INCHIKEY>
FNHKPVJBJVTLMP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
482.0768807

> <PUBCHEM_MOLECULAR_FORMULA>
C21H15ClF4N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
482.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

> <PUBCHEM_CACTVS_TPSA>
92.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
482.0768807

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  29  8
11  31  8
13  16  8
13  18  8
14  16  8
14  19  8
15  20  8
15  21  8
17  22  8
17  23  8
18  24  8
19  24  8
20  22  8
21  23  8
27  28  8
27  30  8
28  29  8
30  31  8

$$$$