45878472
  -OEChem-05062418002D

 41 43  0     0  0  0  0  0  0999 V2000
    9.0398    4.9283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    1.0662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4283    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9283    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    1.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -0.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    2.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141    2.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2318    2.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2208    3.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    3.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6330    4.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.3457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.0360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -2.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401   -1.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3726   -0.9415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5294    0.3433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.5483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6152    2.9319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374    3.2706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    4.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 19  2  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 33  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  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
M  CHG  2   4  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
45878472

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
504

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OQAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHwAEAAAADAzBmAwyxIMQRECJAqVSUwKCCAAkIgAoiAHObMoOJjKE9b+HOSjkxhGY6YeY3/LuAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(4-fluorophenyl)-N-methyl-N-[(2-nitrophenyl)methyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-(4-fluorophenyl)-N-methyl-N-[(2-nitrophenyl)methyl]-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(4-fluorophenyl)-<I>N</I>-methyl-<I>N</I>-[(2-nitrophenyl)methyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-(4-fluorophenyl)-N-methyl-N-[(2-nitrophenyl)methyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(4-fluorophenyl)-N-methyl-N-[(2-nitrophenyl)methyl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(4-fluorophenyl)-N-methyl-N-(2-nitrobenzyl)-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H15FN2O4/c1-21(12-14-4-2-3-5-16(14)22(24)25)19(23)18-11-10-17(26-18)13-6-8-15(20)9-7-13/h2-11H,12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KQACWCGSJJWHEQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
354.10158513

> <PUBCHEM_MOLECULAR_FORMULA>
C19H15FN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
354.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

> <PUBCHEM_CACTVS_TPSA>
79.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.10158513

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  16  8
12  19  8
14  18  8
15  20  8
16  18  8
17  22  8
17  23  8
19  21  8
2  11  8
2  14  8
20  21  8
22  24  8
23  25  8
24  26  8
25  26  8
9  12  8
9  15  8

$$$$