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

HCID 78068623
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Basic information

Standard SMILES
O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1ccc(OCCC(F)(F)F)cc1
InChIKey
LFQQDOXILLHYKR-UHFFFAOYSA-N
Molecular formula
C20H17F6NO5
Average molar mass
465.3 g/mol
Monoisotopic mass
465.10109162

Names & identifiers

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

Names & synonyms

3-[4-(trifluoromethoxy)phenyl]-2-{[4-(3,3,3-trifluoropropoxy)benzoyl]amino}propanoic acidSCHEMBL4368718

Database identifiers

PubChem CID
78068623

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
84.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
9
Heavy atoms
32

Related reactions

8 records
New reaction record

Compound notes

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