60400953
  -OEChem-04252410322D

 49 50  0     1  0  0  0  0  0999 V2000
    4.5981    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6603    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2803    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0403    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2163    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8363    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  2  0  0  0  0
  4 20  2  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60400953

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQAAAADSzhmA4yxoLABACIAiVSUAKCCAAlIgAIiIFObMgOJjbEtZ+HOWjm9hHY6YeYyCCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,2-dimethylpropyl)-2-[2-(2-fluoroanilino)-2-oxo-ethoxy]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methylbutan-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(2-fluoroanilino)-2-oxoethoxy]-<I>N</I>-(3-methylbutan-2-yl)benzamide

> <PUBCHEM_IUPAC_NAME>
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methylbutan-2-yl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-N-(3-methylbutan-2-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,2-dimethylpropyl)-2-[2-(2-fluoroanilino)-2-keto-ethoxy]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H23FN2O3/c1-13(2)14(3)22-20(25)15-8-4-7-11-18(15)26-12-19(24)23-17-10-6-5-9-16(17)21/h4-11,13-14H,12H2,1-3H3,(H,22,25)(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
UBIVIKSTIPVJLK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
358.16927076

> <PUBCHEM_MOLECULAR_FORMULA>
C20H23FN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
358.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C(C)NC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=CC=C2F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)C(C)NC(=O)C1=CC=CC=C1OCC(=O)NC2=CC=CC=C2F

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.16927076

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
13  14  8
13  15  8
14  16  8
15  17  8
16  18  8
17  18  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
8  11  3

$$$$