
 SR-02000000239

 39 41  0  0  0  0  0  0  0  0999 V2000
   -0.6124   -1.8488   -1.3610 C   0  0  0  0  0
    0.8166   -1.7091   -0.9072 C   0  0  0  0  0
    1.5755   -2.7502   -0.3286 C   0  0  0  0  0
    2.9598   -2.5560   -0.0993 C   0  0  0  0  0
    3.5418   -1.3067   -0.3702 C   0  0  0  0  0
    2.7764   -0.2608   -0.8709 C   0  0  0  0  0
    1.4276   -0.4625   -1.1397 C   0  0  0  0  0
    3.8395   -3.6371    0.4732 C   0  0  0  0  0
    1.0361   -4.0193   -0.0119 N   0  0  0  0  0
   -0.1902   -4.2717    0.5771 C   0  0  0  0  0
   -0.9822   -3.4187    0.9594 O   0  0  0  0  0
   -0.4492   -5.6888    0.7610 C   0  0  0  0  0
   -1.5461   -6.3427    1.2864 C   0  0  0  0  0
   -1.2856   -7.7284    1.1752 C   0  0  0  0  0
   -0.0352   -7.8512    0.6036 C   0  0  0  0  0
    0.4877   -6.6105    0.3663 O   0  0  0  0  0
    0.7820   -8.9856    0.1942 C   0  0  0  0  0
    0.1745  -10.1812   -0.2149 C   0  0  0  0  0
    0.9551  -11.2683   -0.6094 C   0  0  0  0  0
    2.3450  -11.1864   -0.5942 C   0  0  0  0  0
    2.9606  -10.0049   -0.1855 C   0  0  0  0  0
    2.1829   -8.9105    0.2029 C   0  0  0  0  0
    0.1918  -12.7232   -1.1235 Cl  0  0  0  0  0
   -0.8467   -2.8757   -1.6563 H   0  0  0  0  0
   -0.7923   -1.2369   -2.2530 H   0  0  0  0  0
   -1.3000   -1.5121   -0.5804 H   0  0  0  0  0
    4.5990   -1.1364   -0.1785 H   0  0  0  0  0
    3.2320    0.7061   -1.0668 H   0  0  0  0  0
    0.8485    0.3572   -1.5616 H   0  0  0  0  0
    3.9162   -4.4738   -0.2284 H   0  0  0  0  0
    3.4376   -3.9915    1.4280 H   0  0  0  0  0
    4.8547   -3.2730    0.6647 H   0  0  0  0  0
    1.6748   -4.8026    0.0308 H   0  0  0  0  0
   -2.4311   -5.8623    1.6816 H   0  0  0  0  0
   -1.9338   -8.5401    1.4756 H   0  0  0  0  0
   -0.9089  -10.2657   -0.2444 H   0  0  0  0  0
    2.9510  -12.0354   -0.8996 H   0  0  0  0  0
    4.0455   -9.9347   -0.1678 H   0  0  0  0  0
    2.6805   -7.9976    0.5240 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 23  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 39  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000239

>  <PubChem CID>
878124

>  <Formula>
C19H16ClNO2

>  <Molecular Weight>
325.792000

>  <IUPAC Name>
5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H16ClNO2/c1-12-5-3-6-13(2)18(12)21-19(22)17-10-9-16(23-17)14-7-4-8-15(20)11-14/h3-11H,1-2H3,(H,21,22)

>  <InChI Key>
CMIVNSUOASYQSC-UHFFFAOYSA-N

