49792219
  -OEChem-05072411382D

 43 46  0     1  0  0  0  0  0999 V2000
   10.7619   -2.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2679    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.1037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -0.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -0.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.5234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -4.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 20  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 12  1  0  0  0  0
  5 15  1  0  0  0  0
  5 32  1  0  0  0  0
  6 10  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 12  1  0  0  0  0
  8 30  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 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 19  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 20  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  2  0  0  0  0
 18 37  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 24  1  0  0  0  0
 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
 22 39  1  0  0  0  0
 23 26  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792219

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
522

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHwIQAAAADBbhmi48hJLIFACoAjF3VAKCiCAxJyAI2KF8bpgOJnLFs5+POCjk1hHY6Ae43fKOgAAAIAAAAAAAAABAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H16ClFN2O2/c22-15-5-1-3-13(9-15)12-25-20(26)19-11-18-17(7-8-24-21(18)27-19)14-4-2-6-16(23)10-14/h1-10,19H,11-12H2,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
BWTRNBYNBMIGBT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
382.0884336

> <PUBCHEM_MOLECULAR_FORMULA>
C21H16ClFN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
382.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC(=CC=C4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC(=CC=C4)Cl

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.0884336

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  17  8
13  18  8
14  16  8
17  20  8
18  21  8
19  22  8
19  23  8
20  24  8
21  24  8
22  25  8
23  26  8
25  27  8
26  27  8
6  10  8
6  16  8
8  12  3
9  10  8
9  11  8

$$$$