Basic information
- Standard SMILES
CC1(C)CON(Cc2cc(N)c(F)cc2Cl)C1=O- InChIKey
WFZXMFPEBZILIZ-UHFFFAOYSA-N- Molecular formula
- C12H14ClFN2O2
- Average molar mass
- 272.7 g/mol
- Monoisotopic mass
- 272.0727835
Names & identifiers
- Preferred name
- (2-Chloro-4-fluoro-5-aminophenyl)methyl-4,4-dimethyl-3-isoxazolidinone
- IUPAC
- 2-[(5-amino-2-chloro-4-fluorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
Names & synonyms
SCHEMBL10573942WFZXMFPEBZILIZ-UHFFFAOYSA-N(2-chloro-4-fluoro-5-aminophenyl)methyl-4,4-dimethyl-3-isoxazolidinone2-[(2-chloro-4-fluoro-5-aminophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone
Database identifiers
- PubChem CID
- 20032369
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 340
Related reactions
3 records
Compound notes
Loading…