3-bromo-N-mesityl-4-methylbenzamide
Basic information
- CAS
443295-52-1- Standard SMILES
Cc1cc(C)c(NC(=O)c2ccc(C)c(Br)c2)c(C)c1- InChIKey
JDVHQDQJVAKXQZ-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO
- Average molar mass
- 332.2 g/mol
- Monoisotopic mass
- 331.05718
Names & identifiers
- Preferred name
- 3-bromo-N-mesityl-4-methylbenzamide
- IUPAC
- 3-bromo-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
- English name
- 3-bromo-N-mesityl-4-methylbenzamide
- Molecular formula
- C17H18BrNO
- Molecular weight
- 332.23
Names & synonyms
3-bromo-N-mesityl-4-methylbenzamide3-bromo-4-methyl-N-(2,4,6-trimethylphenyl)benzamideSTK042216AKOS000492278ST054742AN-329/41006772(3-bromo-4-methylphenyl)-N-(2,4,6-trimethylphenyl)carboxamideBenzamide, 3-bromo-4-methyl-N-(2,4,6-trimethylphenyl)-
Database identifiers
- CAS
443295-52-1- PubChem CID
- 675714
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 368.4 · 368.4±42.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.70(Predicted)
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Related reactions
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Compound notes
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