Chemical ID: 6962435

c1ccc(c(c1)C(=O)Nc2ccc(cc2)C#N)Cl
Chemical ID:
6962435
Name [?]:
2-chloro-N-(4-cyanophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2)C#N)Cl
InChi [?]:
InChI=1/C14H9ClN2O/c15-13-4-2-1-3-12(13)14(18)17-11-7-5-10(9-16)6-8-11/h1-8H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,16,13,10,5,4,7,18,17,9,8/E:(5,6)(7,8)/rA:18nCCCCCCCONCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;t16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClN2O
All Atoms:27
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.67776
Area:443.574
Solvation:-2.41159
Coulombic:-26.078
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

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Descriptor Annotations

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