N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl)-L-phenylalanine

HCID 69715941
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Basic information

Standard SMILES
Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(C)cc(C(F)(F)F)n(C)c2=O)cc1)C(=O)O
InChIKey
CGDRAVDJURFDMP-SFHVURJKSA-N
Molecular formula
C25H22ClF3N2O4
Average molar mass
506.9 g/mol

Names & identifiers

Preferred name
N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl)-L-phenylalanine
IUPAC
(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[1,4-dimethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid

Names & synonyms

CHEMBL2332728N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,4-dimethyl-6-(trifluoromethyl)-2-oxo-3-pyridinyl)-L-phenylalanineSCHEMBL6237580BDBM50428917

Database identifiers

PubChem CID
69715941
ChEMBL
CHEMBL2332728

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
86.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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