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

HCID 11626153
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Basic information

Standard SMILES
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1
InChIKey
RWFZXCCXWCQLBQ-LBPRGKRZSA-N
Molecular formula
C21H16Cl2N2O4
Average molar mass
431.3 g/mol
Monoisotopic mass
430.0487124

Names & identifiers

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

Names & synonyms

CHEMBL4084355SCHEMBL2351898SCHEMBL30114853RWFZXCCXWCQLBQ-LBPRGKRZSA-NBDBM502325514-[(1S)-1-({[5-CHLORO-2-(4-CHLOROPHENOXY)PYRIDIN-3-YL]CARBONYL}AMINO)ETHYL]BENZOIC ACID

Database identifiers

PubChem CID
11626153
ChEMBL
CHEMBL4084355

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
88.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

1 records
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Compound notes

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