N-(4-acetylphenyl)-3-bromo-5-methylbenzamide

C16H14BrNO2 — CID 104851617

IUPACN-(4-acetylphenyl)-3-bromo-5-methylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrNO2/c1-10-7-13(9-14(17)8-10)16(20)18-15-5-3-12(4-6-15)11(2)19/h3-9H,1-2H3,(H,18,20)
InChIKeySTBSCUUOEZWZLG-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.21
Rot. Bonds3

About N-(4-acetylphenyl)-3-bromo-5-methylbenzamide

N-(4-acetylphenyl)-3-bromo-5-methylbenzamide (PubChem CID 104851617) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-bromo-5-methylbenzamide
PubChem CID104851617
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-(4-acetylphenyl)-3-bromo-5-methylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrNO2/c1-10-7-13(9-14(17)8-10)16(20)18-15-5-3-12(4-6-15)11(2)19/h3-9H,1-2H3,(H,18,20)
InChIKeySTBSCUUOEZWZLG-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
CID 104852016
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 104850638
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
N-(3-bromo-5-methylphenyl)-4-(propylamino)benzamide
CID 107578574
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-bromo-5-methylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-bromo-5-methylbenzamide (CID 104851617) is N-(4-acetylphenyl)-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-bromo-5-methylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-bromo-5-methylbenzamide is CC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-bromo-5-methylbenzamide?
The InChIKey is STBSCUUOEZWZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-10-7-13(9-14(17)8-10)16(20)18-15-5-3-12(4-6-15)11(2)19/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-3-bromo-5-methylbenzamide?
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide has a molecular weight of 332.20 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-bromo-5-methylbenzamide is sourced from PubChem (CID 104851617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).