Chemical ID: 6933642

COc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
Chemical ID:
6933642
Name [?]:
N-(3-chloro-4-cyano-phenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C15H11ClN2O2/c1-20-13-6-3-10(4-7-13)15(19)18-12-5-2-11(9-17)14(16)8-12/h2-8H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,5,7,13,4,8,17,19,6,15,12,3,16,9,18,20,11,10,2/E:(3,4)(6,7)/rA:20nCOCCCCCCCONCCCCCCClCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClN2O2
All Atoms:31
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.62078
Area:486.195
Solvation:-3.53411
Coulombic:-32.3912
Bond Count [?]
All:21
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.713
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.25
LogP (Chemaxon):3.18

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