4-chloro-N-[4-(cyanomethyl)phenyl]benzamide

C15H11ClN2O — CID 674688

IUPAC4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-5-3-12(4-6-13)15(19)18-14-7-1-11(2-8-14)9-10-17/h1-8H,9H2,(H,18,19)
InChIKeyKVAJJPXXNVXJNY-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.66
Rot. Bonds3

About 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide

4-chloro-N-[4-(cyanomethyl)phenyl]benzamide (PubChem CID 674688) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
PubChem CID674688
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11ClN2O/c16-13-5-3-12(4-6-13)15(19)18-14-7-1-11(2-8-14)9-10-17/h1-8H,9H2,(H,18,19)
InChIKeyKVAJJPXXNVXJNY-UHFFFAOYSA-N
XLogP3.66
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, N-(3,4-dichlorophenyl)-
CID 82516
4'-Methylbenzanilide
CID 68497
4-Chloro-N-(2-naphthyl)-benzamide
CID 307425
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
3,4-dichloro-N-phenylbenzamide
CID 504156
3'-Chloro-M-toluanilide
CID 531963
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
4-Amino-N-phenylbenzamide
CID 69910

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide (CID 674688) is 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide is N#CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
The InChIKey is KVAJJPXXNVXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-13-5-3-12(4-6-13)15(19)18-14-7-1-11(2-8-14)9-10-17/h1-8H,9H2,(H,18,19).
What are the key properties of 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
4-chloro-N-[4-(cyanomethyl)phenyl]benzamide has a molecular weight of 270.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(cyanomethyl)phenyl]benzamide is sourced from PubChem (CID 674688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).