Molecular Identity
Benfluorex
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate
PubChem CID: 2318
Benzoic acid 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl ester is a benzoate ester.
2D Structure
Properties
C19H20F3NO2
Molecular Formula
351.40
Molecular Weight
g/mol
351.1446
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
38.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
408
Complexity
SMILES
Canonical SMILES
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2Isomeric SMILES
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2Synonyms(20)
benfluorexBenfluramate23602-78-0MediaxalN-(2-Benzoyloxyethyl)norfenfluramine403FO0NQG3NSC-757396DTXSID50484712-((1-(3-(trifluoromethyl)phenyl)propan-2-yl)amino)ethyl benzoate2-({1-[3-(Trifluoromethyl)phenyl]propan-2-yl}amino)ethyl benzoate780 SERefChem:916827DTXCID10284451-(2-trifluoromethylphenyl)-2-(benzoyloxyethyl)aminopropane HCl1-(3-trifluoromethylphenyl)-2-(N-(2-benzoyloxyethyl)amino)propane
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Benfluorex
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