Basic information
- Standard SMILES
Br.CC(C)(CNC(=O)COc1ccccc1)NCC(=O)c1ccc(O)c(O)c1Cl- InChIKey
WRRRXEJNYUPLHV-UHFFFAOYSA-N- Molecular formula
- C20H24BrClN2O5
- Average molar mass
- 487.8 g/mol
Names & identifiers
- Preferred name
- 2-{[1,1-Dimethyl-2-(2-phenoxyacetamido)ethyl]amino}-2'-chloro-3',4'-dihydroxy acetophenone hydrobromide
- IUPAC
- N-[2-[[2-(2-chloro-3,4-dihydroxyphenyl)-2-oxoethyl]amino]-2-methylpropyl]-2-phenoxyacetamide;hydrobromide
Names & synonyms
SCHEMBL11106198WRRRXEJNYUPLHV-UHFFFAOYSA-N2-{[1,1-dimethyl-2-(2-phenoxyacetamido)ethyl]amino}-2'-chloro-3',4'-dihydroxy acetophenone hydrobromide
Database identifiers
- PubChem CID
- 20446802
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
2 records
Compound notes
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