Basic information
- CAS
20380-99-8- Standard SMILES
O=C(CCC(=O)c1ccc(F)cc1)NCCCO- InChIKey
ZYTVKAVUHFMTLH-UHFFFAOYSA-N- Molecular formula
- C13H16FNO3
- Average molar mass
- 253.27 g/mol
- Monoisotopic mass
- 253.11142153
Names & identifiers
- Preferred name
- Benzenebutanamide, 4-fluoro-N-(3-hydroxypropyl)-gamma-oxo-
- IUPAC
- 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-4-oxobutanamide
Names & synonyms
20380-99-8Benzenebutanamide, 4-fluoro-N-(3-hydroxypropyl)-gamma-oxo-RefChem:1078368BRN 11209714-Fluoro-N-(3-hydroxypropyl)-gamma-oxobenzenebutanamideCHEMBL3276176DTXSID109425484-(4-Fluorophenyl)-N-(3-hydroxypropyl)-4-oxobutanimidic acid
Database identifiers
- CAS
20380-99-8- PubChem CID
- 209784
- DTXSID
DTXSID10942548- ChEMBL
CHEMBL3276176
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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