
 CHEMBL1824257

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.4641   -2.1362   -0.3456 C   0  0  0  0  0
    6.1637   -1.6598   -0.9205 C   0  0  0  0  0
    5.8197   -0.3022   -0.8803 C   0  0  0  0  0
    4.5856    0.1742   -1.3722 C   0  0  0  0  0
    3.6690   -0.7607   -1.9001 C   0  0  0  0  0
    4.0232   -2.1229   -1.9422 C   0  0  0  0  0
    5.2503   -2.5681   -1.4509 C   0  0  0  0  0
    2.3130   -0.3765   -2.4270 C   0  0  0  0  0
    4.3180    1.6133   -1.2962 C   0  0  0  0  0
    3.6007    2.5264   -2.0420 C   0  0  0  0  0
    3.7295    3.7940   -1.4045 C   0  0  0  0  0
    4.5410    3.5818   -0.3016 C   0  0  0  0  0
    4.9083    2.2637   -0.2482 O   0  0  0  0  0
    5.0331    4.4861    0.7271 C   0  0  0  0  0
    4.7043    5.6666    0.7735 O   0  0  0  0  0
    5.9457    3.8767    1.5745 N   0  0  0  0  0
    6.6478    4.4942    2.6327 C   0  0  0  0  0
    8.0215    4.1813    2.7754 C   0  0  0  0  0
    8.7673    4.7820    3.8027 C   0  0  0  0  0
    8.1695    5.6748    4.6841 C   0  0  0  0  0
    6.8114    5.9517    4.5699 C   0  0  0  0  0
    6.0272    5.3469    3.5704 C   0  0  0  0  0
    4.5470    5.6181    3.6165 C   0  0  0  0  0
    8.7360    3.2490    1.8317 C   0  0  0  0  0
    3.1265    5.0797   -1.8361 C   0  0  0  0  0
    8.2115   -1.3358   -0.3431 H   0  0  0  0  0
    7.8719   -2.9604   -0.9400 H   0  0  0  0  0
    7.3144   -2.4782    0.6832 H   0  0  0  0  0
    6.5345    0.4034   -0.4595 H   0  0  0  0  0
    3.3300   -2.8567   -2.3501 H   0  0  0  0  0
    5.4837   -3.6300   -1.4822 H   0  0  0  0  0
    1.6744   -1.2562   -2.5653 H   0  0  0  0  0
    2.4094    0.1149   -3.3996 H   0  0  0  0  0
    1.7902    0.2785   -1.7231 H   0  0  0  0  0
    3.0463    2.3187   -2.9458 H   0  0  0  0  0
    6.3223    3.0140    1.2017 H   0  0  0  0  0
    9.8282    4.5675    3.9132 H   0  0  0  0  0
    8.7563    6.1439    5.4693 H   0  0  0  0  0
    6.3516    6.6298    5.2865 H   0  0  0  0  0
    3.9673    4.7789    3.2206 H   0  0  0  0  0
    4.3057    6.5339    3.0702 H   0  0  0  0  0
    4.2134    5.7459    4.6532 H   0  0  0  0  0
    8.3550    2.2292    1.9458 H   0  0  0  0  0
    9.8137    3.2245    2.0267 H   0  0  0  0  0
    8.6043    3.5777    0.7956 H   0  0  0  0  0
    2.5480    4.9547   -2.7571 H   0  0  0  0  0
    3.9054    5.8250   -2.0265 H   0  0  0  0  0
    2.4533    5.4671   -1.0647 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
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 22 23  1  0  0  0
 23 40  1  0  0  0
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 23 42  1  0  0  0
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 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1824257

>  <PubChem CID>
56682428

>  <Formula>
C22H23NO2

>  <Molecular Weight>
333.431000

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

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)C2=CC(=C(O2)C(=O)NC3=C(C=CC=C3C)C)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)C2=CC(=C(O2)C(=O)NC3=C(C=CC=C3C)C)C

>  <InChI Std. ID>
InChI=1S/C22H23NO2/c1-13-9-10-14(2)18(11-13)19-12-17(5)21(25-19)22(24)23-20-15(3)7-6-8-16(20)4/h6-12H,1-5H3,(H,23,24)

>  <InChI Key>
BGKKNACJCUASLF-UHFFFAOYSA-N

