Basic information
- Standard SMILES
CCCCC1Cc2c(cc(F)c(N)c2Cl)C1=O- InChIKey
NTDZDWIBRSTTAP-UHFFFAOYSA-N- Molecular formula
- C13H15ClFNO
- Average molar mass
- 255.71 g/mol
Names & identifiers
- Preferred name
- 5-Amino-2-butyl-4-chloro-6-fluoro-2,3-dihydro-1H-inden-1-one
- IUPAC
- 5-amino-2-butyl-4-chloro-6-fluoro-2,3-dihydroinden-1-one
Names & synonyms
5-Amino-2-butyl-4-chloro-6-fluoro-2,3-dihydro-1H-inden-1-one499241-42-8SCHEMBL5336349NTDZDWIBRSTTAP-UHFFFAOYSA-N5-amino-2-butyl-4-chloro-6-fluoro-1-indanone
Database identifiers
- PubChem CID
- 21072004
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
3 records
Compound notes
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