1,2-Benzisoxazole-3-acetamide, alpha-ethyl-N-(1-(4-fluorophenyl)-1-methylpropyl)-
Basic information
- CAS
97872-25-8- Standard SMILES
CCC(C(=O)NC(C)(CC)c1ccc(F)cc1)c1noc2ccccc12- InChIKey
PWJWIPLXUYMHJD-UHFFFAOYSA-N- Molecular formula
- C21H23FN2O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.17435614
Names & identifiers
- Preferred name
- 1,2-Benzisoxazole-3-acetamide, alpha-ethyl-N-(1-(4-fluorophenyl)-1-methylpropyl)-
- IUPAC
- 2-(1,2-benzoxazol-3-yl)-N-[2-(4-fluorophenyl)butan-2-yl]butanamide
Names & synonyms
97872-25-81,2-Benzisoxazole-3-acetamide, alpha-ethyl-N-(1-(4-fluorophenyl)-1-methylpropyl)-DTXSID309135932-(1,2-Benzoxazol-3-yl)-N-[2-(4-fluorophenyl)butan-2-yl]butanimidic acid
Database identifiers
- CAS
97872-25-8- PubChem CID
- 178991
- DTXSID
DTXSID30913593
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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