2594432
  -OEChem-06181317042D

 26 27  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1012    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1012    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776    1.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686    2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.9814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079    3.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7990    3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6634    2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2594432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
265

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMYAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHwAQAAAADAThmA4wBILABECIAqlSkACCCAAkIAAIiIGODMgOJjKEtTuHOSjkxhGYqYeYmQKOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,6-difluoro-N-(2-furylmethyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,6-difluoro-N-(2-furanylmethyl)benzamide

> <PUBCHEM_IUPAC_NAME>
2,6-difluoro-N-(furan-2-ylmethyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,6-bis(fluoranyl)-N-(furan-2-ylmethyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,6-difluoro-N-(2-furfuryl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H9F2NO2/c13-9-4-1-5-10(14)11(9)12(16)15-7-8-3-2-6-17-8/h1-6H,7H2,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
PERMJRFUIZFDQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
237.060135

> <PUBCHEM_MOLECULAR_FORMULA>
C12H9F2NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
237.202166

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C(=C1)F)C(=O)NCC2=CC=CO2)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C(=C1)F)C(=O)NCC2=CC=CO2)F

> <PUBCHEM_CACTVS_TPSA>
42.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
237.060135

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  13  8
12  14  8
13  16  8
14  16  8
15  17  8
3  17  8
3  7  8
7  10  8
8  11  8
8  12  8

$$$$