4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide

C15H11ClN2O2 — CID 60717552

IUPAC4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
SMILESN#CC(NC(=O)c1ccc(Cl)cc1O)c1ccccc1
InChIInChI=1S/C15H11ClN2O2/c16-11-6-7-12(14(19)8-11)15(20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,19H,(H,18,20)
InChIKeyMNDZMPKAVRXFDH-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.04
Rot. Bonds3

About 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide

4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide (PubChem CID 60717552) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
PubChem CID60717552
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide
SMILESN#CC(NC(=O)c1ccc(Cl)cc1O)c1ccccc1
InChIInChI=1S/C15H11ClN2O2/c16-11-6-7-12(14(19)8-11)15(20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,19H,(H,18,20)
InChIKeyMNDZMPKAVRXFDH-UHFFFAOYSA-N
XLogP3.04
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(R)-(4-chlorophenyl)-cyanomethyl]benzamide
CID 685432
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
2,6-dichloro-N-[cyano(phenyl)methyl]pyridine-4-carboxamide
CID 103605980
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-[cyano(phenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104919730
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-[cyano(phenyl)methyl]-2,3-dimethylbenzamide
CID 60659253
1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
N-[(R)-(3-chlorophenyl)-cyanomethyl]-2,3-dimethoxybenzamide
CID 96549369
3,4-dichloro-N-[cyano(phenyl)methyl]-1,2-thiazole-5-carboxamide
CID 54115728
4-chloro-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43396829
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide (CID 60717552) is 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide is N#CC(NC(=O)c1ccc(Cl)cc1O)c1ccccc1.
What is the InChIKey of 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide?
The InChIKey is MNDZMPKAVRXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-6-7-12(14(19)8-11)15(20)18-13(9-17)10-4-2-1-3-5-10/h1-8,13,19H,(H,18,20).
What are the key properties of 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide?
4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide has a molecular weight of 286.72 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[cyano(phenyl)methyl]-2-hydroxybenzamide is sourced from PubChem (CID 60717552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).