2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide

C16H16BrNO2 — CID 103852727

IUPAC2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-8-14(20-3)13(9-10)18-16(19)12-6-4-5-11(2)15(12)17/h4-9H,1-3H3,(H,18,19)
InChIKeyHSJDEJNDISBSLQ-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.33
Rot. Bonds3

About 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide

2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide (PubChem CID 103852727) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
PubChem CID103852727
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-7-8-14(20-3)13(9-10)18-16(19)12-6-4-5-11(2)15(12)17/h4-9H,1-3H3,(H,18,19)
InChIKeyHSJDEJNDISBSLQ-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide 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

2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
2-bromo-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 103853347
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216
3-N-(2,6-dimethylphenyl)-1-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057247
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
N-(2-methoxy-5-methylphenyl)quinoxaline-5-carboxamide
CID 110701438
1-N-(2,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 109057155
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide (CID 103852727) is 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide is COc1ccc(C)cc1NC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide?
The InChIKey is HSJDEJNDISBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-7-8-14(20-3)13(9-10)18-16(19)12-6-4-5-11(2)15(12)17/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide?
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide has a molecular weight of 334.21 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 103852727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).