Basic information
- CAS
920017-46-5- Standard SMILES
O=C(Cc1ccc(-c2cc[n+]([O-])cc2)cc1)NCc1cccc(F)c1- InChIKey
COQHNSJAVFAKFS-UHFFFAOYSA-N- Molecular formula
- C20H17FN2O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.12740595
Names & identifiers
- Preferred name
- Benzeneacetamide, N-[(3-fluorophenyl)methyl]-4-(1-oxido-4-pyridinyl)-
- IUPAC
- N-[(3-fluorophenyl)methyl]-2-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]acetamide
Names & synonyms
920017-46-54-(4-(2-((3-Fluorobenzyl)amino)-2-oxoethyl)phenyl)pyridine 1-oxideBenzeneacetamide, N-[(3-fluorophenyl)methyl]-4-(1-oxido-4-pyridinyl)-SCHEMBL15912208DTXSID904698644-(4-(2-((3-Fluorobenzyl)amino)-2-oxoethyl)phenyl)pyridine1-oxideN-[(3-Fluorophenyl)methyl]-2-[4-(1-oxo-1lambda~5~-pyridin-4-yl)phenyl]acetamide
Database identifiers
- CAS
920017-46-5- PubChem CID
- 11638588
- DTXSID
DTXSID90469864
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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