46948334
  -OEChem-05112405002D

 40 43  0     1  0  0  0  0  0999 V2000
   10.7619   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -0.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    0.2377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -1.6863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -0.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -3.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -0.5970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -3.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  2  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46948334

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
500

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MQAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHwIQAAAADB7hmi48xJLIFACoAjV3VAKCiCAxJyAI2CF8bpgOJnLFs5+POCjk1BHY6Ae43fKOgABAAAAAAAAAAIAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H14ClFN2O2/c21-13-4-6-15(7-5-13)24-19(25)18-11-17-16(8-9-23-20(17)26-18)12-2-1-3-14(22)10-12/h1-10,18H,11H2,(H,24,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ONUQBUBDBCQBOS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
368.0727835

> <PUBCHEM_MOLECULAR_FORMULA>
C20H14ClFN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
368.8

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

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

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.0727835

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  14  8
13  16  8
13  17  8
14  15  8
16  19  8
17  20  8
18  22  8
18  23  8
19  21  8
20  21  8
22  24  8
23  25  8
24  26  8
25  26  8
5  10  8
5  15  8
8  12  3
9  10  8
9  11  8

$$$$