N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
Basic information
- CAS
851721-09-0- Standard SMILES
CC(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(F)cc1- InChIKey
QSZYVKYXYUJWFD-UHFFFAOYSA-N- Molecular formula
- C16H14F4N2O2
- Average molar mass
- 342.29 g/mol
- Monoisotopic mass
- 342.09914034
Names & identifiers
- Preferred name
- N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
- IUPAC
- N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
Names & synonyms
N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamideMLS000772432CHEMBL1404012DTXSID201328732HMS2721K13AKOS016994604851721-09-0SMR000377112Z16406617N-[1-(4-Fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
Database identifiers
- CAS
851721-09-0- PubChem CID
- 4968864
- DTXSID
DTXSID201328732- ChEMBL
CHEMBL1404012
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 549
Experimental & physicochemical properties
Solubility23.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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