60271066
  -OEChem-04192400082D

 40 42  0     0  0  0  0  0  0999 V2000
    3.4782   -2.7445    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.7368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.0216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.5188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  2  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 17  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  2  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60271066

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
508

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYBAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHwQQAAAADAiF2AiwwYLAAAiMAiVSUACDAIAlChBIiBkAdMgIYDLglZGUIQhglADoyYcYiACOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,5-difluoro-N-[2-[[2-(2-thienyl)acetyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,5-difluoro-N-[2-[(1-oxo-2-thiophen-2-ylethyl)amino]phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,5-difluoro-<I>N</I>-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
2,5-difluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,5-bis(fluoranyl)-N-[2-(2-thiophen-2-ylethanoylamino)phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,5-difluoro-N-[2-[[2-(2-thienyl)acetyl]amino]phenyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14F2N2O2S/c20-12-7-8-15(21)14(10-12)19(25)23-17-6-2-1-5-16(17)22-18(24)11-13-4-3-9-26-13/h1-10H,11H2,(H,22,24)(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
NWHPBFZZWKVWBC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
372.07440519

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14F2N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)NC(=O)CC2=CC=CS2)NC(=O)C3=C(C=CC(=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)NC(=O)CC2=CC=CS2)NC(=O)C3=C(C=CC(=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
86.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.07440519

> <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>
1  14  8
1  23  8
12  17  8
13  18  8
14  19  8
16  20  8
16  21  8
17  18  8
19  22  8
20  25  8
21  24  8
22  23  8
24  26  8
25  26  8
8  12  8
8  9  8
9  13  8

$$$$