chempirical

Flecainide

C17H20F6N2O3CAS 54143-55-4414.35 g/mol

Open in Covalent MOL file
ONHHNOFFFOFFF
Alkyl halideEtherSecondary amine

Properties

Molecular formula
C17H20F6N2O3
Molar mass
414.35 g/mol
Exact mass
414.1378 Da
Melting point
145–147 °C
logP
4.02Crippen estimate
Polar surface area
63.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
7

Identifiers

CAS number
54143-55-4
SMILES
OC(=NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIKey
DJBNUMBKLMJRSA-UHFFFAOYSA-N
InChI
InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzamide, N-(2-piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)-
  • N-(2-Piperidinylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
  • (±)-Flecainide
  • Flecaine

Work with Flecainide

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

Flecainide acetate54143-56-585 % similar 2,5-Bis(2,2,2-trifluoroethoxy)benzoic acid35480-52-549 % similar 1,1-Dimethylethyl N-[(2S)-2-piperidinylmethyl]carbamate139004-93-638 % similar 1,1-Dimethylethyl N-[(2R)-2-piperidinylmethyl]carbamate139004-96-938 % similar 4-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1,2,3-thiadiazole175205-47-733 % similar 1,4-Bis(2,2,2-trifluoroethoxy)benzene66300-61-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook