49791050
  -OEChem-04262404032D

 43 46  0     1  0  0  0  0  0999 V2000
    2.8660    3.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2619    0.0981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -1.2680    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8958   -0.2679    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -0.2623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -2.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  2  0  0  0  0
  7 17  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 24  1  0  0  0  0
 19 36  1  0  0  0  0
 20 25  2  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 27  1  0  0  0  0
 22 39  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49791050

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
583

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHwIQAAAADB7hmjY8xJLIFACoAjV3VAKCiCAxJyAI2CF8bpgOJnLFs5+POCjk1BHY6Ae43fKOhAAAQAAAAAAIAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(4-chlorophenyl)-<I>N</I>-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H14ClF3N2O2/c22-14-6-4-12(5-7-14)16-8-9-26-20-17(16)11-18(29-20)19(28)27-15-3-1-2-13(10-15)21(23,24)25/h1-10,18H,11H2,(H,27,28)

> <PUBCHEM_IUPAC_INCHIKEY>
URYVWVBYUQILFT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
418.0695899

> <PUBCHEM_MOLECULAR_FORMULA>
C21H14ClF3N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
418.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC2=NC=CC(=C21)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC(=C4)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(OC2=NC=CC(=C21)C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC(=C4)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
418.0695899

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  3
11  12  8
11  13  8
13  16  8
15  19  8
15  20  8
16  17  8
18  21  8
18  22  8
19  24  8
20  25  8
21  23  8
22  27  8
23  28  8
24  26  8
25  26  8
27  28  8
7  12  8
7  17  8

$$$$