
 CHEMBL3769548

 43 45  0  0  0  0  0  0  0  0999 V2000
    5.1695   -2.5002   -0.8459 C   0  0  0  0  0
    6.2145   -1.6760   -1.5004 C   0  0  0  0  0
    7.2298   -2.1159   -2.3337 C   0  0  0  0  0
    8.0037   -1.0720   -2.7405 O   0  0  0  0  0
    7.4817    0.0538   -2.1872 C   0  0  0  0  0
    6.3755   -0.2583   -1.4098 C   0  0  0  0  0
    5.6960    0.7957   -0.7657 C   0  0  0  0  0
    6.1317    2.1211   -0.9558 C   0  0  0  0  0
    7.2614    2.3770   -1.7417 C   0  0  0  0  0
    7.9686    1.3429   -2.3697 C   0  0  0  0  0
    5.3706    3.1305   -0.3356 N   0  0  0  0  0
    5.5024    4.5012   -0.4755 C   0  0  0  0  0
    6.3204    5.0967   -1.1699 O   0  0  0  0  0
    4.4358    5.2690    0.3086 C   0  0  0  0  0
    4.0986    4.6616    1.5541 O   0  0  0  0  0
    4.8187    5.0944    2.6345 C   0  0  0  0  0
    4.1609    5.0216    3.8642 C   0  0  0  0  0
    4.7845    5.4760    5.0342 C   0  0  0  0  0
    6.0720    6.0022    4.9780 C   0  0  0  0  0
    6.7521    6.0095    3.7576 C   0  0  0  0  0
    6.1306    5.5596    2.5897 C   0  0  0  0  0
    6.7795    6.5262    6.0213 O   0  0  0  0  0
    6.0476    6.9241    7.1670 C   0  0  0  0  0
    5.6735    5.8489    7.8896 F   0  0  0  0  0
    6.8425    7.6981    7.9413 F   0  0  0  0  0
    4.9551    7.6472    6.8403 F   0  0  0  0  0
    7.6090   -3.4458   -2.8551 C   0  0  0  0  0
    5.0448   -3.4628   -1.3516 H   0  0  0  0  0
    4.2019   -1.9885   -0.8627 H   0  0  0  0  0
    5.4392   -2.6939    0.1971 H   0  0  0  0  0
    4.8249    0.5732   -0.1586 H   0  0  0  0  0
    7.6309    3.3874   -1.8877 H   0  0  0  0  0
    8.8411    1.5358   -2.9806 H   0  0  0  0  0
    4.6213    2.8276    0.2790 H   0  0  0  0  0
    3.5290    5.2688   -0.3071 H   0  0  0  0  0
    4.7343    6.3182    0.4280 H   0  0  0  0  0
    3.1480    4.6314    3.9134 H   0  0  0  0  0
    4.2275    5.4077    5.9650 H   0  0  0  0  0
    7.7721    6.3852    3.7066 H   0  0  0  0  0
    6.7049    5.5904    1.6685 H   0  0  0  0  0
    8.5186   -3.3923   -3.4628 H   0  0  0  0  0
    6.8079   -3.8496   -3.4812 H   0  0  0  0  0
    7.7905   -4.1432   -2.0317 H   0  0  0  0  0
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  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3769548

>  <PubChem CID>
127029630

>  <Formula>
C19H16F3NO4

>  <Molecular Weight>
379.335000

>  <IUPAC Name>
N-(2,3-dimethyl-1-benzofuran-5-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(OC2=C1C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(F)(F)F)C

>  <Isomeric SMILES>
CC1=C(OC2=C1C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C19H16F3NO4/c1-11-12(2)26-17-8-3-13(9-16(11)17)23-18(24)10-25-14-4-6-15(7-5-14)27-19(20,21)22/h3-9H,10H2,1-2H3,(H,23,24)

>  <InChI Key>
DGZDPCUJTJWYIU-UHFFFAOYSA-N

