65661414
  -OEChem-04262417242D

 28 29  0     0  0  0  0  0  0999 V2000
    2.8660    1.4400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 20  2  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65661414

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
349

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIYAEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwIQAAAADAqBmCgwwILAAACIAiVSUACCAAAlBwAIiAEAZsgIIDLBl5GEIQhglADIzYcciACOAABAQAABAAAAAICAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-amino-2-chloro-<I>N</I>-(2,4,6-trifluorophenyl)benzamide

> <PUBCHEM_IUPAC_NAME>
5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-azanyl-2-chloranyl-N-[2,4,6-tris(fluoranyl)phenyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-amino-2-chloro-N-(2,4,6-trifluorophenyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H8ClF3N2O/c14-9-2-1-7(18)5-8(9)13(20)19-12-10(16)3-6(15)4-11(12)17/h1-5H,18H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
LLUXMBFSVWBANE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
300.0277251

> <PUBCHEM_MOLECULAR_FORMULA>
C13H8ClF3N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
300.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1N)C(=O)NC2=C(C=C(C=C2F)F)F)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1N)C(=O)NC2=C(C=C(C=C2F)F)F)Cl

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.0277251

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  16  8
13  17  8
14  18  8
15  19  8
16  17  8
18  20  8
19  20  8
8  11  8
8  12  8
9  14  8
9  15  8

$$$$