
 CHEMBL3716043

 48 50  0  0  0  0  0  0  0  0999 V2000
    5.6803   -0.8560    1.2185 C   0  0  0  0  0
    5.5266    0.5368    1.8138 C   0  0  0  0  0
    6.6908    1.4812    1.4740 C   0  0  0  0  0
    6.9341    1.7068   -0.0125 C   0  0  0  0  0
    5.9436    2.2848   -0.8499 C   0  0  0  0  0
    6.1569    2.3829   -2.2368 C   0  0  0  0  0
    7.3424    1.9303   -2.8046 C   0  0  0  0  0
    8.3476    1.4257   -1.9882 C   0  0  0  0  0
    8.1732    1.3324   -0.5966 C   0  0  0  0  0
    9.3402    0.8414    0.2221 C   0  0  0  0  0
    4.7155    2.9268   -0.2887 C   0  0  0  0  0
    4.7654    3.5171    0.7798 O   0  0  0  0  0
    3.5694    2.8525   -1.0490 N   0  0  0  0  0
    2.2914    3.5185   -0.6999 C   0  0  0  0  0
    1.6652    2.9487    0.6040 C   0  0  0  0  0
    1.7414    4.0974    1.5637 C   0  0  0  0  0
    2.1806    5.2670    0.9398 C   0  0  0  0  0
    2.4553    5.0558   -0.5161 C   0  0  0  0  0
    2.3352    6.4428    1.6574 C   0  0  0  0  0
    2.0462    6.4206    3.0182 C   0  0  0  0  0
    1.6041    5.2556    3.6520 C   0  0  0  0  0
    1.4453    4.0773    2.9198 C   0  0  0  0  0
    2.1966    7.5407    3.7388 F   0  0  0  0  0
    1.3048    3.3023   -1.8626 C   0  0  0  0  0
    0.1330    3.6431   -1.9095 O   0  0  0  0  0
    1.8625    2.7055   -2.9467 O   0  0  0  0  0
    4.8811   -1.5093    1.5838 H   0  0  0  0  0
    6.6385   -1.3032    1.5000 H   0  0  0  0  0
    5.6144   -0.8323    0.1266 H   0  0  0  0  0
    5.4713    0.4434    2.9056 H   0  0  0  0  0
    4.5663    0.9524    1.4951 H   0  0  0  0  0
    7.5796    1.0631    1.9571 H   0  0  0  0  0
    6.5493    2.4491    1.9675 H   0  0  0  0  0
    5.4235    2.8525   -2.8867 H   0  0  0  0  0
    7.5021    2.0108   -3.8766 H   0  0  0  0  0
    9.2876    1.1195   -2.4443 H   0  0  0  0  0
    9.1463   -0.1665    0.6003 H   0  0  0  0  0
    9.5372    1.5234    1.0563 H   0  0  0  0  0
   10.2606    0.8112   -0.3708 H   0  0  0  0  0
    3.5593    2.3035   -1.9039 H   0  0  0  0  0
    2.2256    2.0903    0.9895 H   0  0  0  0  0
    0.6176    2.6541    0.4772 H   0  0  0  0  0
    3.4630    5.3993   -0.7731 H   0  0  0  0  0
    1.7323    5.6319   -1.1045 H   0  0  0  0  0
    2.6872    7.3546    1.1899 H   0  0  0  0  0
    1.3960    5.2764    4.7169 H   0  0  0  0  0
    1.1142    3.1663    3.4078 H   0  0  0  0  0
    1.1307    2.7008   -3.6018 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  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 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 24  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 22  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3716043

>  <PubChem CID>
59314129

>  <Formula>
C21H22FNO3

>  <Molecular Weight>
355.409000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1=C(C=CC=C1C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <Isomeric SMILES>
CCCC1=C(C=CC=C1C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H22FNO3/c1-3-5-17-13(2)6-4-7-18(17)19(24)23-21(20(25)26)11-14-8-9-16(22)10-15(14)12-21/h4,6-10H,3,5,11-12H2,1-2H3,(H,23,24)(H,25,26)

>  <InChI Key>
JGXLGRFTGRPCTJ-UHFFFAOYSA-N

