(2-Chloro-4-fluoro-5-aminophenyl)methyl-4,4-dimethyl-3-isoxazolidinone

HCID 20032369

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

Related reactions

3 records

Compound notes

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