2-{[4-(4,4,4-Trifluorobutoxy)benzoyl]amino}-3-[4-(trifluoromethoxy)phenyl]propanoic acid

HCID 78068622
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Basic information

Standard SMILES
O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1ccc(OCCCC(F)(F)F)cc1
InChIKey
FHKOFTHSGOAMET-UHFFFAOYSA-N
Molecular formula
C21H19F6NO5
Average molar mass
479.4 g/mol
Monoisotopic mass
479.11674168

Names & identifiers

Preferred name
2-{[4-(4,4,4-Trifluorobutoxy)benzoyl]amino}-3-[4-(trifluoromethoxy)phenyl]propanoic acid
IUPAC
2-[[4-(4,4,4-trifluorobutoxy)benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid

Names & synonyms

2-{[4-(4,4,4-trifluorobutoxy)benzoyl]amino}-3-[4-(trifluoromethoxy)phenyl]propanoic acidSCHEMBL4365940

Database identifiers

PubChem CID
78068622

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
10
Heavy atoms
33

Related reactions

4 records
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Compound notes

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