3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide

C15H10Cl2N2O — CID 674696

IUPAC3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20)
InChIKeyRLYLWAQJILPZNE-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.31
Rot. Bonds3

About 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide

3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide (PubChem CID 674696) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
PubChem CID674696
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20)
InChIKeyRLYLWAQJILPZNE-UHFFFAOYSA-N
XLogP4.31
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 80966309
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 26375346
6-amino-N-[4-(cyanomethyl)phenyl]pyridine-3-carboxamide
CID 62302246
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
4-[(4-chlorophenyl)methoxy]-N-[4-(cyanomethyl)phenyl]-3-methoxybenzamide
CID 60599216
4-[[3-(cyanomethyl)benzoyl]amino]benzoic acid
CID 84589175
N-[4-(cyanomethyl)phenyl]-6-(methylamino)pyridine-3-carboxamide
CID 62302226
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 9041893

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide (CID 674696) is 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide is N#CCc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide?
The InChIKey is RLYLWAQJILPZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20).
What are the key properties of 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide?
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide has a molecular weight of 305.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide is sourced from PubChem (CID 674696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).