
 SCHEMBL3306528

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.2450    2.1639   -2.9990 C   0  0  0  0  0
    3.9829    1.5213   -1.6598 C   0  0  0  0  0
    3.9186    2.3432   -0.5244 C   0  0  0  0  0
    3.6406    1.8065    0.7289 C   0  0  0  0  0
    3.4238    0.4369    0.8629 C   0  0  0  0  0
    3.4889   -0.4166   -0.2510 C   0  0  0  0  0
    3.7585    0.1263   -1.5315 C   0  0  0  0  0
    3.7814   -0.6877   -2.7586 C   0  0  0  0  0
    2.7024   -1.0835   -3.4598 C   0  0  0  0  0
    1.2780   -0.7414   -3.1169 C   0  0  0  0  0
    2.8652   -1.9242   -4.6975 C   0  0  0  0  0
    3.2249   -1.8653    0.0354 C   0  0  0  0  0
    2.4362   -2.1797    0.9187 O   0  0  0  0  0
    3.9408   -2.7838   -0.6862 N   0  0  0  0  0
    3.7907   -4.2488   -0.6160 C   0  0  0  0  0
    4.1995   -4.8473    0.7532 C   0  0  0  0  0
    3.3525   -6.0873    0.8118 C   0  0  0  0  0
    2.3087   -6.0282   -0.1218 C   0  0  0  0  0
    2.3470   -4.7428   -0.8976 C   0  0  0  0  0
    1.4076   -7.0715   -0.2497 C   0  0  0  0  0
    1.5827   -8.1854    0.5663 C   0  0  0  0  0
    2.6211   -8.2532    1.5027 C   0  0  0  0  0
    3.5154   -7.1893    1.6375 C   0  0  0  0  0
    0.7412   -9.2222    0.4491 F   0  0  0  0  0
    4.7144   -4.8397   -1.7185 C   0  0  0  0  0
    4.9415   -6.0140   -1.9556 O   0  0  0  0  0
    5.2866   -3.8953   -2.5088 O   0  0  0  0  0
    5.0748    1.6668   -3.5121 H   0  0  0  0  0
    4.5226    3.2179   -2.8902 H   0  0  0  0  0
    3.3464    2.1186   -3.6226 H   0  0  0  0  0
    4.0745    3.4174   -0.6124 H   0  0  0  0  0
    3.5845    2.4539    1.6001 H   0  0  0  0  0
    3.1989    0.0307    1.8488 H   0  0  0  0  0
    4.7819   -0.9527   -3.0972 H   0  0  0  0  0
    1.1859   -0.1114   -2.2282 H   0  0  0  0  0
    0.7038   -1.6558   -2.9368 H   0  0  0  0  0
    0.8146   -0.1997   -3.9486 H   0  0  0  0  0
    3.9148   -2.1621   -4.9018 H   0  0  0  0  0
    2.4676   -1.3967   -5.5705 H   0  0  0  0  0
    2.3277   -2.8714   -4.5852 H   0  0  0  0  0
    4.6181   -2.4609   -1.3681 H   0  0  0  0  0
    3.9439   -4.1951    1.5946 H   0  0  0  0  0
    5.2662   -5.0905    0.7975 H   0  0  0  0  0
    1.5782   -4.0681   -0.5102 H   0  0  0  0  0
    2.1675   -4.9138   -1.9642 H   0  0  0  0  0
    0.5967   -7.0436   -0.9680 H   0  0  0  0  0
    2.7242   -9.1423    2.1168 H   0  0  0  0  0
    4.3245   -7.2370    2.3598 H   0  0  0  0  0
    5.7773   -4.4367   -3.1686 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 23  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 49  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3306528

>  <PubChem CID>
25160799

>  <Formula>
C22H22FNO3

>  <Molecular Weight>
367.420000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1C=C(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1C=C(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H22FNO3/c1-13(2)9-19-14(3)5-4-6-18(19)20(25)24-22(21(26)27)11-15-7-8-17(23)10-16(15)12-22/h4-10H,11-12H2,1-3H3,(H,24,25)(H,26,27)

>  <InChI Key>
MCAZANBPBDWLKT-UHFFFAOYSA-N

