
 CHEMBL300316

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.8728    2.3304   -3.2871 C   0  0  0  0  0
    0.0896    1.5053   -2.4839 C   0  0  0  0  0
    0.7329    1.8031   -1.2949 C   0  0  0  0  0
    1.5823    0.8338   -0.7460 C   0  0  0  0  0
    1.7955   -0.3939   -1.4060 C   0  0  0  0  0
    1.1573   -0.6611   -2.6143 C   0  0  0  0  0
    0.3118    0.2950   -3.1328 C   0  0  0  0  0
   -0.4218    0.2530   -4.3100 N   0  0  0  0  0
   -1.1524    1.4208   -4.4888 C   0  0  0  0  0
   -1.8812    1.6681   -5.4350 O   0  0  0  0  0
    1.3631   -1.8206   -3.2491 F   0  0  0  0  0
    0.4542    3.0179   -0.7498 O   0  0  0  0  0
    1.4655    3.5805    0.0940 C   0  0  0  0  0
    1.1887    5.0884    0.1840 C   0  0  0  0  0
    2.1594    5.8263    0.9972 N   0  0  0  0  0
    1.9429    7.2927    0.8856 C   0  0  0  0  0
    2.0528    7.8274    2.2750 C   0  0  0  0  0
    2.0316    9.1423    2.7081 C   0  0  0  0  0
    2.1131    9.3857    4.0807 C   0  0  0  0  0
    2.2119    8.3208    4.9905 C   0  0  0  0  0
    2.2277    6.9991    4.5395 C   0  0  0  0  0
    2.1464    6.7721    3.1762 C   0  0  0  0  0
    2.0935    5.4752    2.4378 C   0  0  0  0  0
   -1.8003    2.5079   -2.7369 H   0  0  0  0  0
   -0.4121    3.2607   -3.6292 H   0  0  0  0  0
    2.0854    1.0010    0.2026 H   0  0  0  0  0
    2.4577   -1.1396   -0.9756 H   0  0  0  0  0
   -0.4264   -0.5149   -4.9655 H   0  0  0  0  0
    2.4647    3.4217   -0.3313 H   0  0  0  0  0
    1.4048    3.1141    1.0836 H   0  0  0  0  0
    0.1632    5.2503    0.5437 H   0  0  0  0  0
    1.2060    5.4819   -0.8417 H   0  0  0  0  0
    0.9508    7.5402    0.4891 H   0  0  0  0  0
    2.7122    7.7257    0.2382 H   0  0  0  0  0
    1.9475    9.9640    2.0044 H   0  0  0  0  0
    2.0950   10.4083    4.4497 H   0  0  0  0  0
    2.2711    8.5288    6.0561 H   0  0  0  0  0
    2.2950    6.1760    5.2429 H   0  0  0  0  0
    1.1625    4.9597    2.7009 H   0  0  0  0  0
    2.9486    4.8433    2.6988 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 23  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL300316

>  <PubChem CID>
10638841

>  <Formula>
C18H17FN2O2

>  <Molecular Weight>
312.344000

>  <IUPAC Name>
4-[2-(1,3-dihydroisoindol-2-yl)ethoxy]-7-fluoro-1,3-dihydroindol-2-one

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C2=C(C=CC(=C2NC1=O)F)OCCN3CC4=CC=CC=C4C3

>  <Isomeric SMILES>
C1C2=C(C=CC(=C2NC1=O)F)OCCN3CC4=CC=CC=C4C3

>  <InChI Std. ID>
InChI=1S/C18H17FN2O2/c19-15-5-6-16(14-9-17(22)20-18(14)15)23-8-7-21-10-12-3-1-2-4-13(12)11-21/h1-6H,7-11H2,(H,20,22)

>  <InChI Key>
AAMLBIYNFUAPCS-UHFFFAOYSA-N

