2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide

C16H16BrNO3 — CID 103852740

IUPAC2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2Br)c(OC)c1
InChIInChI=1S/C16H16BrNO3/c1-10-5-4-6-12(15(10)17)16(19)18-13-8-7-11(20-2)9-14(13)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyUUBBFAQQISDWFY-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

About 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide

2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide (PubChem CID 103852740) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
PubChem CID103852740
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2Br)c(OC)c1
InChIInChI=1S/C16H16BrNO3/c1-10-5-4-6-12(15(10)17)16(19)18-13-8-7-11(20-2)9-14(13)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyUUBBFAQQISDWFY-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 104870934
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 710450
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide (CID 103852740) is 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2Br)c(OC)c1.
What is the InChIKey of 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide?
The InChIKey is UUBBFAQQISDWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-5-4-6-12(15(10)17)16(19)18-13-8-7-11(20-2)9-14(13)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide?
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide has a molecular weight of 350.21 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 103852740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).