
 SCHEMBL3309210

 48 50  0  0  0  0  0  0  0  0999 V2000
    6.7372    1.0281    1.9887 C   0  0  0  0  0
    7.9439    1.4655    1.1753 C   0  0  0  0  0
    7.6393    2.5636    0.1474 C   0  0  0  0  0
    7.2612    3.9035    0.7536 C   0  0  0  0  0
    5.9106    4.2984    0.9161 C   0  0  0  0  0
    5.5977    5.5361    1.5098 C   0  0  0  0  0
    6.6012    6.3788    1.9688 C   0  0  0  0  0
    7.9312    6.0076    1.8160 C   0  0  0  0  0
    8.2791    4.7862    1.2101 C   0  0  0  0  0
    9.7478    4.5000    1.0182 C   0  0  0  0  0
    4.7442    3.4676    0.4781 C   0  0  0  0  0
    4.6892    2.9299   -0.6189 O   0  0  0  0  0
    3.7290    3.3828    1.4084 N   0  0  0  0  0
    2.4984    2.5818    1.1977 C   0  0  0  0  0
    1.5888    2.7279    2.4542 C   0  0  0  0  0
    2.1356    1.6487    3.3414 C   0  0  0  0  0
    2.0156    1.5234    4.7153 C   0  0  0  0  0
    2.6114    0.4184    5.3197 C   0  0  0  0  0
    3.2908   -0.5412    4.5602 C   0  0  0  0  0
    3.3977   -0.4182    3.1763 C   0  0  0  0  0
    2.8243    0.6931    2.5808 C   0  0  0  0  0
    2.8024    1.0611    1.1213 C   0  0  0  0  0
    3.8525   -1.5966    5.1665 F   0  0  0  0  0
    2.5288    0.2818    6.6506 F   0  0  0  0  0
    1.7074    3.1544    0.0129 C   0  0  0  0  0
    1.5430    4.3444   -0.2268 O   0  0  0  0  0
    1.0696    2.2368   -0.7378 O   0  0  0  0  0
    7.0067    0.1914    2.6411 H   0  0  0  0  0
    5.9309    0.6936    1.3324 H   0  0  0  0  0
    6.3652    1.8363    2.6248 H   0  0  0  0  0
    8.3288    0.5912    0.6359 H   0  0  0  0  0
    8.7341    1.7795    1.8644 H   0  0  0  0  0
    6.8816    2.2069   -0.5535 H   0  0  0  0  0
    8.5253    2.7042   -0.4851 H   0  0  0  0  0
    4.5625    5.8606    1.5983 H   0  0  0  0  0
    6.3495    7.3318    2.4275 H   0  0  0  0  0
    8.7063    6.6887    2.1630 H   0  0  0  0  0
   10.0066    4.5738   -0.0426 H   0  0  0  0  0
   10.0168    3.5105    1.3935 H   0  0  0  0  0
   10.3701    5.2194    1.5624 H   0  0  0  0  0
    3.9407    3.6773    2.3535 H   0  0  0  0  0
    0.5356    2.5206    2.2317 H   0  0  0  0  0
    1.6748    3.7170    2.9174 H   0  0  0  0  0
    1.4878    2.2551    5.3163 H   0  0  0  0  0
    3.9252   -1.1694    2.5995 H   0  0  0  0  0
    3.7530    0.8366    0.6334 H   0  0  0  0  0
    2.0078    0.4872    0.6329 H   0  0  0  0  0
    0.6426    2.7686   -1.4426 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
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 10 39  1  0  0  0
 10 40  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 14 25  1  0  0  0
 14 15  1  0  0  0
 14 22  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 24  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
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 27 48  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3309210

>  <PubChem CID>
59314127

>  <Formula>
C21H21F2NO3

>  <Molecular Weight>
373.400000

>  <IUPAC Name>
5,6-difluoro-2-[(3-methyl-2-propylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=C(C=CC=C1C)C(=O)NC2(CC3=CC(=C(C=C3C2)F)F)C(=O)O

>  <Isomeric SMILES>
CCCC1=C(C=CC=C1C)C(=O)NC2(CC3=CC(=C(C=C3C2)F)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H21F2NO3/c1-3-5-15-12(2)6-4-7-16(15)19(25)24-21(20(26)27)10-13-8-17(22)18(23)9-14(13)11-21/h4,6-9H,3,5,10-11H2,1-2H3,(H,24,25)(H,26,27)

>  <InChI Key>
HCLWVZVGWADYDV-UHFFFAOYSA-N

