Chemical ID: 6933670

CC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
Chemical ID:
6933670
Name [?]:
4-acetamido-N-(3-chloro-4-cyano-phenyl)-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C16H12ClN3O2/c1-10(21)19-13-5-2-11(3-6-13)16(22)20-14-7-4-12(9-18)15(17)8-14/h2-8H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,7,9,16,6,10,15,19,21,2,8,17,5,14,18,11,20,22,4,13,3,12/E:(2,3)(5,6)/rA:22nCCONCCCCCCCONCCCCCCClCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s17;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClN3O2
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.53061
Area:523.914
Solvation:-3.56723
Coulombic:-43.8173
Bond Count [?]
All:23
Single:14
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:313.738
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.59
LogP (Chemaxon):2.76

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Descriptor Annotations

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