4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide

C15H12ClN3O — CID 107802373

IUPAC4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(N)c(Cl)c2)c1C#N
InChIInChI=1S/C15H12ClN3O/c1-9-3-2-4-14(11(9)8-17)19-15(20)10-5-6-13(18)12(16)7-10/h2-7H,18H2,1H3,(H,19,20)
InChIKeyJPJODHYSVJRLCR-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.35
Rot. Bonds2

About 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide

4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide (PubChem CID 107802373) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
PubChem CID107802373
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(N)c(Cl)c2)c1C#N
InChIInChI=1S/C15H12ClN3O/c1-9-3-2-4-14(11(9)8-17)19-15(20)10-5-6-13(18)12(16)7-10/h2-7H,18H2,1H3,(H,19,20)
InChIKeyJPJODHYSVJRLCR-UHFFFAOYSA-N
XLogP3.35
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 107801443
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 107799217
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide (CID 107802373) is 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(N)c(Cl)c2)c1C#N.
What is the InChIKey of 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide?
The InChIKey is JPJODHYSVJRLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-3-2-4-14(11(9)8-17)19-15(20)10-5-6-13(18)12(16)7-10/h2-7H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide?
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide has a molecular weight of 285.73 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide is sourced from PubChem (CID 107802373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).