chempirical

Retigabine

C16H18FN3O2CAS 150812-12-7303.34 g/mol

Open in Covalent MOL file
OOHNNHFH2N
Aryl halidePrimary amineSecondary amine

Properties

Molecular formula
C16H18FN3O2
Molar mass
303.34 g/mol
Exact mass
303.1383 Da
logP
3.60Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5

Identifiers

CAS number
150812-12-7
SMILES
CCOC(O)=Nc1ccc(NCc2ccc(F)cc2)cc1N
InChIKey
PCOBBVZJEWWZFR-UHFFFAOYSA-N
InChI
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)

Weigh it out

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

Names and synonyms

11 names
  • Carbamic acid, N-[2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester
  • Carbamic acid, [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]-, ethyl ester
  • Ethyl [2-amino-4-[[(4-fluorophenyl)methyl]amino]phenyl]carbamate
  • D 23129
  • Ezogabine
  • WAY 143841
  • GW 582892X
  • GKE 841
  • Trobalt
  • Potiga
  • [2-Amino-4-(4-fluoro-benzylamino)-phenyl]-carbamic acid ethyl ester

Work with Retigabine

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

Retigabine dihydrochloride150812-13-894 % similar Flupirtine maleate75507-68-545 % similar Ethyl N-phenylcarbamate101-99-536 % similar Thiophanate23564-06-934 % similar (2R)-2-(tert-Butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid57292-45-233 % similar Mosapride112885-41-332 % similar Ethyl 4-fluorobenzoate451-46-732 % similar 1,2-Diethyl 1,2-hydrazinedicarboxylate4114-28-730 % similar

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

Elsewhere

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