2-Bromo-N-(4-ethoxyphenyl)-3-methylbutyramide
Basic information
- CAS
52964-39-3- Standard SMILES
CCOc1ccc(NC(=O)C(Br)C(C)C)cc1- InChIKey
YSNUIYSGRLFLTI-UHFFFAOYSA-N- Molecular formula
- C13H18BrNO2
- Average molar mass
- 300.19 g/mol
- Monoisotopic mass
- 299.05209
Names & identifiers
- Preferred name
- 2-Bromo-N-(4-ethoxyphenyl)-3-methylbutyramide
- IUPAC
- 2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
- English name
- 2-bromo-N-(4-ethoxyphenyl)-3-methylbutyramide
- Molecular formula
- C13H18BrNO2
- Molecular weight
- 300.19
Names & synonyms
52964-39-32-bromo-n-(4-ethoxyphenyl)-3-methylbutanamide2-Bromo-N-(4-ethoxyphenyl)-3-methylbutyramideEINECS 258-282-8F0076-0007DTXSID50967437YSNUIYSGRLFLTI-UHFFFAOYSA-NAKOS000181806DB-313784NS00057276SR-01000004832SR-01000004832-1
Database identifiers
- CAS
52964-39-3- PubChem CID
- 103708
- DTXSID
DTXSID50967437- EC Number
- 258-282-8
- Nikkaji
- J295.849J、J95.609K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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