49795600
  -OEChem-05142408402D

 40 43  0     1  0  0  0  0  0999 V2000
    4.5981    3.6574    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2564   -2.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.2087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3426    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8551   -2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5983   -3.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4643   -3.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.7713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -0.8949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.7456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.1526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3445   -0.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -0.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487   -3.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5335   -4.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0307   -3.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 19  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 16  1  0  0  0  0
  5 30  1  0  0  0  0
  6 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 12  1  0  0  0  0
  8 28  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 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  0  0  0  0
 18 21  2  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795600

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MQAAAAAAAAAAAAAAAAAAASJAAAA8QAAAAAAAAFgB8AAAHwAQAAAADBThmg48hJLIFECoArl31AKCiCA1IiAI2KH+bNgOJnLEtb+POSjk1hHY6Ye43fKOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15FN2O3/c20-13-4-1-3-12(9-13)15-6-7-21-19-16(15)10-17(25-19)18(23)22-11-14-5-2-8-24-14/h1-9,17H,10-11H2,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
HDKOJFVPEIQYES-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
338.10667051

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
338.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(OC2=NC=CC(=C21)C3=CC(=CC=C3)F)C(=O)NCC4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
338.10667051

> <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>
11  14  8
13  17  8
13  18  8
14  15  8
17  20  8
18  21  8
19  23  8
20  22  8
21  22  8
23  24  8
24  25  8
4  19  8
4  25  8
6  10  8
6  15  8
8  12  3
9  10  8
9  11  8

$$$$