121581908
  -OEChem-06192423252D

 30 31  0     0  0  0  0  0  0999 V2000
    2.5313   -2.3965    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756    0.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724   -0.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    0.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1294   -3.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8135    4.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6616    1.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6620   -1.0003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1278    0.6439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6663   -2.5865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    1.9297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8604   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6663   -4.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2634   -5.0165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    3.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657    4.9629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    4.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 16  2  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121581908

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMQAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwAQAAAADATBmAwwBILABECIAqFSEACCCAAkIAAIiIGODMgOJjKEtTuHOSjk1hGYqYeY2fKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[5-(2-fluorophenyl)-2-furyl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[5-(2-fluorophenyl)-2-furanyl]methyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[5-(2-fluorophenyl)furan-2-yl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[5-(2-fluorophenyl)-2-furyl]methyl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H12FNO2/c1-2-14(17)16-9-10-7-8-13(18-10)11-5-3-4-6-12(11)15/h2-8H,1,9H2,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
GFTSDFDDSIKLCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
245.08520679

> <PUBCHEM_MOLECULAR_FORMULA>
C14H12FNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
245.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NCC1=CC=C(O1)C2=CC=CC=C2F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NCC1=CC=C(O1)C2=CC=CC=C2F

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
245.08520679

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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  13  8
12  14  8
13  15  8
14  15  8
2  5  8
2  6  8
5  9  8
6  10  8
7  11  8
7  12  8
9  10  8

$$$$
