Chemical ID: 6933638

c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
Chemical ID:
6933638
Name [?]:
N-(3-chloro-4-cyano-phenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C14H9ClN2O/c15-13-8-12(7-6-11(13)9-16)17-14(18)10-4-2-1-3-5-10/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,11,15,17,4,13,10,14,7,16,18,9,8/E:(2,3)(4,5)/rA:18nCCCCCCCONCCCCCCClCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClN2O
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.03617
Area:447.451
Solvation:-2.1501
Coulombic:-26.4206
Bond Count [?]
All:19
Single:11
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:256.687
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):3.44

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue