chempirical

Flibanserin hydrochloride

C20H22ClF3N4OCAS 147359-76-0426.87 g/mol

Open in Covalent MOL file
NNNNHOFFFHCl
Alkyl halideTertiary amine

Properties

Molecular formula
C20H22ClF3N4O
Molar mass
426.87 g/mol
Exact mass
426.1434 Da
logP
3.59Crippen estimate
Polar surface area
44.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
147359-76-0
SMILES
C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.Cl
InChIKey
XGAGFLQFMFCIHZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H21F3N4O.ClH/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28;/h1-7,14H,8-13H2,(H,24,28);1H

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Work with Flibanserin hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Flibanserin167933-07-559 % similar TFMPP hydrochloride16015-69-347 % similar 1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-941 % similar 2-Oxo-1-benzimidazolinebutyric acid3273-68-537 % similar Trazodone hydrochloride25332-39-234 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-433 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride57059-62-833 % similar Nefazodone hydrochloride82752-99-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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