132317572
  -OEChem-06192423292D

 29 30  0     1  0  0  0  0  0999 V2000
    2.8660   -1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.1340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2619    0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819    0.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249   -1.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719   -1.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -0.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    1.3291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    2.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  2  0  0  0  0
 11 24  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317572

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMQAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAHwAQAAAADCzBmAwyBsLABECIAqFSEACCCAAkIAAIiIGODMgOJjKEtTuHOSjk1hGYqYeY2aOeAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(7-fluorobenzofuran-2-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(7-fluoro-2-benzofuranyl)ethyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(7-fluoro-1-benzofuran-2-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(7-fluoro-1-benzofuran-2-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(7-fluoranyl-1-benzofuran-2-yl)ethyl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(7-fluorobenzofuran-2-yl)ethyl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12FNO2/c1-3-12(16)15-8(2)11-7-9-5-4-6-10(14)13(9)17-11/h3-8H,1H2,2H3,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
FRDLTZFWPWEWNI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
233.08520679

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12FNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
233.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC2=C(O1)C(=CC=C2)F)NC(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC2=C(O1)C(=CC=C2)F)NC(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
233.08520679

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  13  8
12  14  8
13  14  8
2  6  8
2  9  8
5  10  3
6  8  8
7  11  8
7  8  8
7  9  8
9  12  8

$$$$
