46943751
  -OEChem-04202401282D

 40 43  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
    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
    3.7320    0.8660    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
    7.7619   -2.5000    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
    2.0000    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
    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
    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
    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
    1.4631   -2.4440    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
    4.2690    0.5560    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    2.1760    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
    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
    9.5719   -1.0970    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 20  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 21 23  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  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 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46943751

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
461

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgIQAAAADB7hmiY8xJLIFACoAjV3VAKCiCAxJyAI2CF8bpgOJnLFs5+POCjk1BHY6Ae43fKOhAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15ClN2O2/c21-14-8-6-13(7-9-14)16-10-11-22-20-17(16)12-18(25-20)19(24)23-15-4-2-1-3-5-15/h1-11,18H,12H2,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
LUUQMSBSLSQISD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
350.0822054

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
350.8

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

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

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.0822054

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  13  8
12  15  8
12  16  8
13  14  8
15  18  8
16  19  8
17  21  8
17  22  8
18  20  8
19  20  8
21  23  8
22  24  8
23  25  8
24  25  8
4  14  8
4  9  8
7  11  3
8  10  8
8  9  8

$$$$