Basic information
- CAS
97872-27-0- Standard SMILES
CCC(C(=O)NC(C)(C)c1ccc(F)cc1)c1noc2ccccc12- InChIKey
FDWYGPLQEHWEPV-UHFFFAOYSA-N- Molecular formula
- C20H21FN2O2
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.15870608
Names & identifiers
- Preferred name
- 1,2-Benzisoxazole-3-acetamide, alpha-ethyl-N-(1-(4-fluorophenyl)-1-methylethyl)-
- IUPAC
- 2-(1,2-benzoxazol-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]butanamide
Names & synonyms
97872-27-01,2-Benzisoxazole-3-acetamide, alpha-ethyl-N-(1-(4-fluorophenyl)-1-methylethyl)-DTXSID109135912-(1,2-Benzoxazol-3-yl)-N-[2-(4-fluorophenyl)propan-2-yl]butanimidic acid
Database identifiers
- CAS
97872-27-0- PubChem CID
- 178993
- DTXSID
DTXSID10913591
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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