3-bromo-4-tert-butyl-N-(3,4-dichlorophenyl)benzamide
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Basic information
- CAS
501107-37-5- Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br- InChIKey
ULBCISOTBVSJDX-UHFFFAOYSA-N- Molecular formula
- C17H16BrCl2NO
- Average molar mass
- 401.1 g/mol
Names & identifiers
- Preferred name
- 3-bromo-4-tert-butyl-N-(3,4-dichlorophenyl)benzamide
- IUPAC
- 3-bromo-4-tert-butyl-N-(3,4-dichlorophenyl)benzamide
- English name
- 3-bromo-4-tert-butyl-N-(3,4-dichlorophenyl)benzamide
- Molecular formula
- C17H16BrCl2NO
- Molecular weight
- 401.12
Names & synonyms
3-bromo-4-tert-butyl-N-(3,4-dichlorophenyl)benzamideSTK066216AKOS000493315AN-329/41435155Benzamide, 3-bromo-N-(3,4-dichlorophenyl)-4-(1,1-dimethylethyl)-
Database identifiers
- CAS
501107-37-5
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 407.9 · 407.9±45.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 11.84 · 11.84±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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