67218627
  -OEChem-05042421042D

 61 63  0     0  0  0  0  0  0999 V2000
    2.0000    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7214   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5874    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4534    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2594    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 34  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  2  0  0  0  0
  5 21  1  0  0  0  0
  5 34  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 45  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 46  1  0  0  0  0
  8 17  1  0  0  0  0
  8 25  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 23  2  0  0  0  0
 19 22  1  0  0  0  0
 19 47  1  0  0  0  0
 20 24  1  0  0  0  0
 20 49  1  0  0  0  0
 21 26  2  0  0  0  0
 22 24  2  0  0  0  0
 22 50  1  0  0  0  0
 23 27  1  0  0  0  0
 23 52  1  0  0  0  0
 24 51  1  0  0  0  0
 25 29  2  0  0  0  0
 25 30  1  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  2  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 29 31  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  2  0  0  0  0
 30 57  1  0  0  0  0
 31 33  2  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67218627

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
616

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABUAAAHwAQAAAADAzBmBYwxoLABACIAiVSUACCCAAlIgAIiIEOfMgMZnbEtZuUMWhm9hHI6YeYyCCOAAAAAAAIACAAAAAAABAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[6-(2-anilinoanilino)-6-oxo-hexyl]-2-(difluoromethoxy)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide

> <PUBCHEM_IUPAC_NAME>
N-[6-(2-anilinoanilino)-6-oxohexyl]-2-(difluoromethoxy)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[bis(fluoranyl)methoxy]-N-[6-oxidanylidene-6-[(2-phenylazanylphenyl)amino]hexyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-(2-anilinoanilino)-6-keto-hexyl]-2-(difluoromethoxy)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27F2N3O3/c27-26(28)34-23-16-9-6-13-20(23)25(33)29-18-10-2-5-17-24(32)31-22-15-8-7-14-21(22)30-19-11-3-1-4-12-19/h1,3-4,6-9,11-16,26,30H,2,5,10,17-18H2,(H,29,33)(H,31,32)

> <PUBCHEM_IUPAC_INCHIKEY>
LZPZMIGVQKZIOB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
467.20204806

> <PUBCHEM_MOLECULAR_FORMULA>
C26H27F2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
467.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)CCCCCNC(=O)C3=CC=CC=C3OC(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)CCCCCNC(=O)C3=CC=CC=C3OC(F)F

> <PUBCHEM_CACTVS_TPSA>
79.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
467.20204806

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
15  17  8
15  19  8
17  20  8
18  21  8
18  23  8
19  22  8
20  24  8
21  26  8
22  24  8
23  27  8
25  29  8
25  30  8
26  28  8
27  28  8
29  31  8
30  32  8
31  33  8
32  33  8

$$$$