2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide

C16H16ClNO3 — CID 885585

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2Cl)cc(OC)c1
InChIInChI=1S/C16H16ClNO3/c1-10-4-5-14(15(17)6-10)16(19)18-11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGSPYONPTMAWGGB-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.92
Rot. Bonds4

About 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide

2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide (PubChem CID 885585) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
PubChem CID885585
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(C)cc2Cl)cc(OC)c1
InChIInChI=1S/C16H16ClNO3/c1-10-4-5-14(15(17)6-10)16(19)18-11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyGSPYONPTMAWGGB-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-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
2,6-dichloro-N-(3,5-dimethoxyphenyl)benzamide
CID 891393
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
2-chloro-N-(4-cyanophenyl)-4-methylbenzamide
CID 885545
5-chloro-2-hydroxy-N-(3-methoxy-5-methylphenyl)benzamide
CID 71462579
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
2-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide (CID 885585) is 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide is COc1cc(NC(=O)c2ccc(C)cc2Cl)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide?
The InChIKey is GSPYONPTMAWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-4-5-14(15(17)6-10)16(19)18-11-7-12(20-2)9-13(8-11)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide?
2-chloro-N-(3,5-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-(3,5-dimethoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 885585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).