Chemical ID: 7293496

Cc1ccc(c(c1)NC(=O)c2cccc(c2)C#N)C
Chemical ID:
7293496
Name [?]:
3-cyano-N-(2,5-dimethylphenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)c2cccc(c2)C#N)C
InChi [?]:
InChI=1/C16H14N2O/c1-11-6-7-12(2)15(8-11)18-16(19)14-5-3-4-13(9-14)10-17/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,19,13,14,12,3,4,7,16,17,2,5,15,11,6,9,18,8,10/rA:19nCCCCCCCNCOCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;t17;s5;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.29945
Area:459.22
Solvation:-2.18105
Coulombic:-26.0398
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.2

Name Annotations

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Descriptor Annotations

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