3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide

C16H16BrNO3 — CID 104851763

IUPAC3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)cc(Br)c2)cc(OC)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-11(6-12(17)5-10)16(19)18-13-7-14(20-2)9-15(8-13)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyIUQVKOQECVIQSB-UHFFFAOYSA-N
MW350.21 g/mol
LogP4.03
Rot. Bonds4

About 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide

3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide (PubChem CID 104851763) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
PubChem CID104851763
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)cc(Br)c2)cc(OC)c1
InChIInChI=1S/C16H16BrNO3/c1-10-4-11(6-12(17)5-10)16(19)18-13-7-14(20-2)9-15(8-13)21-3/h4-9H,1-3H3,(H,18,19)
InChIKeyIUQVKOQECVIQSB-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

N-(3-bromo-5-methylphenyl)-3,5-dimethoxybenzamide
CID 110604740
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
N-(3-bromo-5-methoxyphenyl)benzamide
CID 82860164
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
N-(3-bromo-5-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 82859447
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
3-bromo-N-(3-chloro-5-fluorophenyl)-5-methylbenzamide
CID 107366667
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide (CID 104851763) is 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide is COc1cc(NC(=O)c2cc(C)cc(Br)c2)cc(OC)c1.
What is the InChIKey of 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide?
The InChIKey is IUQVKOQECVIQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-10-4-11(6-12(17)5-10)16(19)18-13-7-14(20-2)9-15(8-13)21-3/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide?
3-bromo-N-(3,5-dimethoxyphenyl)-5-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 3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 104851763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).