2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-
Basic information
- CAS
587-76-8- Standard SMILES
O=C(O)C(=Cc1ccc(F)cc1)NC(=O)c1ccccc1- InChIKey
WCKFORMNIXDMCK-UHFFFAOYSA-N- Molecular formula
- C16H12FNO3
- Average molar mass
- 285.27 g/mol
- Monoisotopic mass
- 285.08012141
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-
- IUPAC
- 2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid
Names & synonyms
2-benzamido-3-(4-fluorophenyl)prop-2-enoic acid587-76-82-Propenoic acid, 2-(benzoylamino)-3-(4-fluorophenyl)-SCHEMBL10437636DTXSID50354000
Database identifiers
- CAS
587-76-8- PubChem CID
- 761263
- DTXSID
DTXSID50354000
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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