Basic information
- Standard SMILES
CC1CC(CCCCl)C(=O)c2c(-c3ccc(F)cc3)noc21- InChIKey
NDCFWUTYVIJLIR-UHFFFAOYSA-N- Molecular formula
- C17H17ClFNO2
- Average molar mass
- 321.8 g/mol
Names & identifiers
- Preferred name
- 5-(3-chloropropyl)-6,7-dihydro-3-(4-fluorophenyl)-7-methyl-1,2-benzisoxazol-4(5H)-one
- IUPAC
- 5-(3-chloropropyl)-3-(4-fluorophenyl)-7-methyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
Names & synonyms
SCHEMBL9023900NDCFWUTYVIJLIR-UHFFFAOYSA-N5-(3-chloropropyl)-6,7-dihydro-3-(4-fluorophenyl)-7-methyl-1,2-benzisoxazol-4(5H)-one
Database identifiers
- PubChem CID
- 19786556
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
4 records
Compound notes
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