4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide

C16H13ClN2O2 — CID 62059730

IUPAC4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C16H13ClN2O2/c1-10-3-4-11(9-18)7-14(10)19-16(20)13-6-5-12(17)8-15(13)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyVZUKJANIQXZEDM-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide

4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide (PubChem CID 62059730) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
PubChem CID62059730
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1C
InChIInChI=1S/C16H13ClN2O2/c1-10-3-4-11(9-18)7-14(10)19-16(20)13-6-5-12(17)8-15(13)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyVZUKJANIQXZEDM-UHFFFAOYSA-N
XLogP3.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811009
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
1-(5-cyano-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 62105248
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-methylbenzoate
CID 2992050

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide?
The IUPAC name of 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide (CID 62059730) is 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide is COc1cc(Cl)ccc1C(=O)Nc1cc(C#N)ccc1C.
What is the InChIKey of 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide?
The InChIKey is VZUKJANIQXZEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-10-3-4-11(9-18)7-14(10)19-16(20)13-6-5-12(17)8-15(13)21-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide?
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide has a molecular weight of 300.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 62059730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).