2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide

C16H16ClNO3 — CID 885610

IUPAC2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2Cl)c(OC)c1
InChIInChI=1S/C16H16ClNO3/c1-10-4-6-12(13(17)8-10)16(19)18-14-7-5-11(20-2)9-15(14)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyPBHQMAUXGGIHHV-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide

2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide (PubChem CID 885610) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
PubChem CID885610
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2Cl)c(OC)c1
InChIInChI=1S/C16H16ClNO3/c1-10-4-6-12(13(17)8-10)16(19)18-14-7-5-11(20-2)9-15(14)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyPBHQMAUXGGIHHV-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
N-[(2,4-dimethoxyphenyl)carbamothioyl]-2,4-dimethylbenzamide
CID 961018
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide (CID 885610) is 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)cc2Cl)c(OC)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
The InChIKey is PBHQMAUXGGIHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-4-6-12(13(17)8-10)16(19)18-14-7-5-11(20-2)9-15(14)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide?
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 885610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).