
 CHEMBL3616647

 33 34  0  0  0  0  0  0  0  0999 V2000
   -1.0927    2.5334   -1.6775 C   0  0  0  0  0
   -0.1732    3.3562   -2.3245 C   0  0  0  0  0
    1.1332    2.9120   -2.5263 C   0  0  0  0  0
    1.5301    1.6450   -2.0746 C   0  0  0  0  0
    0.5993    0.8156   -1.4371 C   0  0  0  0  0
   -0.7096    1.2651   -1.2376 C   0  0  0  0  0
    2.9350    1.2266   -2.3397 C   0  0  0  0  0
    3.4806    1.6631   -3.3472 O   0  0  0  0  0
    3.5110    0.3997   -1.3850 N   0  0  0  0  0
    4.8366   -0.0918   -1.3891 C   0  0  0  0  0
    5.7458    0.1415   -2.4202 C   0  0  0  0  0
    7.0501   -0.3506   -2.3435 C   0  0  0  0  0
    7.4808   -1.0921   -1.2437 C   0  0  0  0  0
    6.5674   -1.3414   -0.2173 C   0  0  0  0  0
    5.2571   -0.8472   -0.2876 C   0  0  0  0  0
    8.7287   -1.6198   -1.0427 O   0  0  0  0  0
    9.7032   -1.3620   -2.0482 C   0  0  0  0  0
   11.0664   -1.9561   -1.7393 C   0  0  0  0  0
   12.0610   -1.8394   -2.4420 O   0  0  0  0  0
   11.1380   -2.6636   -0.5957 O   0  0  0  0  0
    7.8703   -0.0778   -3.3684 F   0  0  0  0  0
   -2.1137    2.8772   -1.5280 H   0  0  0  0  0
   -0.4719    4.3393   -2.6801 H   0  0  0  0  0
    1.8449    3.5549   -3.0420 H   0  0  0  0  0
    0.8598   -0.1909   -1.1237 H   0  0  0  0  0
   -1.4394    0.6214   -0.7519 H   0  0  0  0  0
    2.9654    0.1933   -0.5586 H   0  0  0  0  0
    5.4885    0.7080   -3.3068 H   0  0  0  0  0
    6.8783   -1.9216    0.6493 H   0  0  0  0  0
    4.5794   -1.0591    0.5360 H   0  0  0  0  0
    9.8576   -0.2808   -2.1428 H   0  0  0  0  0
    9.3825   -1.8116   -2.9946 H   0  0  0  0  0
   12.0688   -2.9667   -0.5617 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3616647

>  <PubChem CID>
122189667

>  <Formula>
C15H12FNO4

>  <Molecular Weight>
289.262000

>  <IUPAC Name>
2-(4-benzamido-2-fluorophenoxy)acetic acid

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(=O)O)F

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(=O)O)F

>  <InChI Std. ID>
InChI=1S/C15H12FNO4/c16-12-8-11(6-7-13(12)21-9-14(18)19)17-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,18,19)

>  <InChI Key>
BHXKCRJKXWJWDK-UHFFFAOYSA-N

