
 CHEMBL1774516

 44 46  0  0  0  0  0  0  0  0999 V2000
    1.6022   -0.1009   -1.9729 C   0  0  0  0  0
    1.8955    0.6767   -0.6889 C   0  0  0  0  0
    0.8282    0.3888    0.3685 C   0  0  0  0  0
    3.2920    0.3759   -0.2075 C   0  0  0  0  0
    4.4104    1.1154   -0.4232 C   0  0  0  0  0
    5.5636    0.3922    0.1961 C   0  0  0  0  0
    5.0833   -0.7787    0.8161 C   0  0  0  0  0
    3.5959   -0.8842    0.6029 C   0  0  0  0  0
    5.7893   -1.7302    1.5337 C   0  0  0  0  0
    7.1419   -1.5095    1.6329 C   0  0  0  0  0
    7.6264   -0.3831    0.9914 C   0  0  0  0  0
    6.9329    0.5995    0.2746 C   0  0  0  0  0
    7.8506    1.6234   -0.2358 C   0  0  0  0  0
    9.1958    0.9527    0.0675 C   0  0  0  0  0
    8.9912   -0.1160    1.0278 O   0  0  0  0  0
    4.5328    2.4049   -1.1619 C   0  0  0  0  0
    4.4640    3.6002   -0.2086 C   0  0  0  0  0
    4.3972    4.8665   -0.9153 N   0  0  0  0  0
    3.1942    5.3760   -1.4023 C   0  0  0  0  0
    2.1299    4.7748   -1.2550 O   0  0  0  0  0
    3.3134    6.7384   -2.1229 C   0  0  0  0  0
    2.8403    6.7012   -3.3975 F   0  0  0  0  0
    2.6434    7.7314   -1.4790 F   0  0  0  0  0
    4.6142    7.1505   -2.2106 F   0  0  0  0  0
    2.3281    0.1466   -2.7554 H   0  0  0  0  0
    0.6063    0.1458   -2.3563 H   0  0  0  0  0
    1.6411   -1.1833   -1.8087 H   0  0  0  0  0
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    0.7619   -0.6802    0.5980 H   0  0  0  0  0
   -0.1572    0.7104    0.0143 H   0  0  0  0  0
    1.0402    0.9261    1.2989 H   0  0  0  0  0
    3.3579   -1.7908    0.0392 H   0  0  0  0  0
    3.0823   -0.8750    1.5691 H   0  0  0  0  0
    5.3050   -2.5879    1.9836 H   0  0  0  0  0
    7.8074   -2.1775    2.1642 H   0  0  0  0  0
    7.7319    2.5504    0.3322 H   0  0  0  0  0
    7.7277    1.8194   -1.3028 H   0  0  0  0  0
    9.9237    1.6646    0.4698 H   0  0  0  0  0
    9.6224    0.5054   -0.8385 H   0  0  0  0  0
    3.7377    2.4833   -1.9132 H   0  0  0  0  0
    5.4639    2.4357   -1.7385 H   0  0  0  0  0
    5.3523    3.6384    0.4319 H   0  0  0  0  0
    3.5851    3.5256    0.4433 H   0  0  0  0  0
    5.2543    5.3782   -1.1056 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  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
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 21 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1774516

>  <PubChem CID>
53237949

>  <Formula>
C18H20F3NO2

>  <Molecular Weight>
339.358000

>  <IUPAC Name>
2,2,2-trifluoro-N-[2-(7-propan-2-yl-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]acetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=C(C2=C(C1)C=CC3=C2CCO3)CCNC(=O)C(F)(F)F

>  <Isomeric SMILES>
CC(C)C1=C(C2=C(C1)C=CC3=C2CCO3)CCNC(=O)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H20F3NO2/c1-10(2)14-9-11-3-4-15-13(6-8-24-15)16(11)12(14)5-7-22-17(23)18(19,20)21/h3-4,10H,5-9H2,1-2H3,(H,22,23)

>  <InChI Key>
AGOKJHZXFUZZRR-UHFFFAOYSA-N

