Chemical ID: 7298801

Cc1ccc(cc1Cl)NC(=O)c2ccc(cc2)C#N
Chemical ID:
7298801
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-cyano-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C15H11ClN2O/c1-10-2-7-13(8-14(10)16)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,14,16,13,17,4,6,18,2,15,12,5,7,10,8,19,9,11/E:(3,4)(5,6)/rA:19nCCCCCCCClNCOCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClN2O
All Atoms:30
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.57435
Area:472.005
Solvation:-2.22578
Coulombic:-26.38
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.713
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):3.9

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