2-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
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Basic information
- CAS
1005085-26-6- Standard SMILES
COc1ccc(NC(=O)C23CCC(C)(C(=O)C2Br)C3(C)C)c(OC)c1- InChIKey
AIRKOCWUHPLTJO-UHFFFAOYSA-N- Molecular formula
- C19H24BrNO4
- Average molar mass
- 410.3 g/mol
- Monoisotopic mass
- 409.08887
Names & identifiers
- Preferred name
- 2-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
- IUPAC
- 2-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
- English name
- 2-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
- Molecular formula
- C19H24BrNO4
- Molecular weight
- 410.3
Names & synonyms
1005085-26-62-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamideAKOS002182525AKOS016087242ST50072458VU0507982-1AF-399/42177138F3055-0097N-(2,4-dimethoxyphenyl)(2-bromo-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carb oxamide(1S,2S,4S)-2-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamideBicyclo[2.2.1]heptane-1-carboxamide, 2-bromo-N-(2,4-dimethoxyphenyl)-4,7,7-trimethyl-3-oxo-
Database identifiers
- CAS
1005085-26-6- PubChem CID
- 5047421
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 516.9 · 516.9±50.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- pka
- 12.97 · 12.97±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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