
 CHEMBL3616652

 40 41  0  0  0  0  0  0  0  0999 V2000
    4.1868   -0.7590   -0.0488 C   0  0  0  0  0
    2.7686   -0.4502   -0.5104 C   0  0  0  0  0
    2.5198   -0.9770   -1.9303 C   0  0  0  0  0
    2.2069   -0.1869   -2.8181 O   0  0  0  0  0
    2.7013   -2.3415   -2.0981 N   0  0  0  0  0
    2.7104   -3.0307   -3.3331 C   0  0  0  0  0
    2.7020   -2.3800   -4.5670 C   0  0  0  0  0
    2.6863   -3.1053   -5.7565 C   0  0  0  0  0
    2.6895   -4.4985   -5.7534 C   0  0  0  0  0
    2.7436   -5.1552   -4.5206 C   0  0  0  0  0
    2.7537   -4.4289   -3.3187 C   0  0  0  0  0
    2.6476   -5.3199   -6.8483 O   0  0  0  0  0
    2.4373   -4.6858   -8.1078 C   0  0  0  0  0
    2.3559   -5.7108   -9.2212 C   0  0  0  0  0
    2.1028   -6.9017   -9.1282 O   0  0  0  0  0
    2.5865   -5.1634  -10.4360 O   0  0  0  0  0
    2.6717   -2.4046   -6.9000 F   0  0  0  0  0
    1.8406   -1.0288    0.4053 O   0  0  0  0  0
    1.0560   -0.1584    1.1172 C   0  0  0  0  0
   -0.1684   -0.6733    1.5490 C   0  0  0  0  0
   -1.0646    0.1283    2.2613 C   0  0  0  0  0
   -0.7370    1.4503    2.5540 C   0  0  0  0  0
    0.4966    1.9603    2.1579 C   0  0  0  0  0
    1.3982    1.1532    1.4577 C   0  0  0  0  0
    4.3888   -0.2682    0.9090 H   0  0  0  0  0
    4.9248   -0.4149   -0.7804 H   0  0  0  0  0
    4.3342   -1.8322    0.1118 H   0  0  0  0  0
    2.6637    0.6363   -0.6079 H   0  0  0  0  0
    2.7453   -2.8986   -1.2528 H   0  0  0  0  0
    2.7115   -1.3007   -4.6590 H   0  0  0  0  0
    2.7655   -6.2430   -4.4936 H   0  0  0  0  0
    2.7829   -4.9789   -2.3811 H   0  0  0  0  0
    3.2828   -4.0286   -8.3383 H   0  0  0  0  0
    1.4863   -4.1394   -8.1056 H   0  0  0  0  0
    2.5301   -5.9237  -11.0522 H   0  0  0  0  0
   -0.4364   -1.7009    1.3187 H   0  0  0  0  0
   -2.0206   -0.2774    2.5814 H   0  0  0  0  0
   -1.4379    2.0804    3.0954 H   0  0  0  0  0
    0.7606    2.9883    2.3939 H   0  0  0  0  0
    2.3609    1.5827    1.2011 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 18  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 35  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 38  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3616652

>  <PubChem CID>
122189672

>  <Formula>
C17H16FNO5

>  <Molecular Weight>
333.315000

>  <IUPAC Name>
2-[2-fluoro-4-(2-phenoxypropanoylamino)phenoxy]acetic acid

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C(=O)NC1=CC(=C(C=C1)OCC(=O)O)F)OC2=CC=CC=C2

>  <Isomeric SMILES>
CC(C(=O)NC1=CC(=C(C=C1)OCC(=O)O)F)OC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C17H16FNO5/c1-11(24-13-5-3-2-4-6-13)17(22)19-12-7-8-15(14(18)9-12)23-10-16(20)21/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)

>  <InChI Key>
BOUKLDZOFOGRSX-UHFFFAOYSA-N

