1-(4-Acetylamino-5-bromo-2-hydroxyphenyl)-5-bromopentan-1-one
Basic information
- Standard SMILES
CC(=O)Nc1cc(O)c(C(=O)CCCCBr)cc1Br- InChIKey
BLTNNDDKHLUBEI-UHFFFAOYSA-N- Molecular formula
- C13H15Br2NO3
- Average molar mass
- 393.07 g/mol
- Monoisotopic mass
- 390.94187
Names & identifiers
- Preferred name
- 1-(4-Acetylamino-5-bromo-2-hydroxyphenyl)-5-bromopentan-1-one
- IUPAC
- N-[2-bromo-4-(5-bromopentanoyl)-5-hydroxyphenyl]acetamide
Names & synonyms
SCHEMBL7350967BLTNNDDKHLUBEI-UHFFFAOYSA-N1-(4-acetylamino-5-bromo-2-hydroxyphenyl)-5-bromopentan-1-one1-(4-acetylamino-5-bromo-2-hydroxyphenyl)-5-bromo-pentan-1-one
Database identifiers
- PubChem CID
- 19081952
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Related reactions
3 records
Compound notes
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