flufenamate   

GtoPdb Ligand ID: 4191

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 52.16
Molecular weight 280.06
XLogP 3.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Isomeric SMILES [O-]C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)/p-1
InChI Key LPEPZBJOKDYZAD-UHFFFAOYSA-M
Classification
Compound class Synthetic organic
IUPAC Name
2-{[3-(trifluoromethyl)phenyl]amino}benzoate
Database Links
ChEBI CHEBI:520819
GtoPdb PubChem SID 178101008
PubChem CID 3637398
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