4-[(1S)-1-({[5-Chloro-2-(4-fluorophenoxy)pyridin-3-YL]carbonyl}amino)ethyl]benzoic acid

HCID 11683088

Basic information

Standard SMILES
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1
InChIKey
KQRDIJJCEPLGDK-LBPRGKRZSA-N
Molecular formula
C21H16ClFN2O4
Average molar mass
414.8 g/mol
Monoisotopic mass
414.0782629

Names & identifiers

Preferred name
4-[(1S)-1-({[5-Chloro-2-(4-fluorophenoxy)pyridin-3-YL]carbonyl}amino)ethyl]benzoic acid
IUPAC
4-[(1S)-1-[[5-chloro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid

Names & synonyms

CHEMBL4096216SCHEMBL691399KQRDIJJCEPLGDK-LBPRGKRZSA-NBDBM502325434-[(1S)-1-({[5-CHLORO-2-(4-FLUOROPHENOXY)PYRIDIN-3-YL]CARBONYL}AMINO)ETHYL]BENZOIC ACID

Database identifiers

PubChem CID
11683088
ChEMBL
CHEMBL4096216

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
88.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

9 records

Compound notes

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