Basic information
- CAS
72274-16-9- Standard SMILES
O=C(O)C(Cc1ccccc1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1- InChIKey
YLRWGFQGMBOYOY-UHFFFAOYSA-N- Molecular formula
- C22H17ClFNO3
- Average molar mass
- 397.8 g/mol
- Monoisotopic mass
- 397.0880993
Names & identifiers
- Preferred name
- N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanine
- IUPAC
- 2-(N-benzoyl-3-chloro-4-fluoroanilino)-3-phenylpropanoic acid
Names & synonyms
N-benzoyl-N-(3-chloro-4-fluorophenyl)phenylalanineDTXSID7027556672274-16-9
Database identifiers
- CAS
72274-16-9- PubChem CID
- 51564
- DTXSID
DTXSID70275566
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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