chempirical

Moclobemide

C13H17ClN2O2CAS 71320-77-9268.74 g/mol

Open in Covalent MOL file
OHNNOCl
AmideAryl halideEtherTertiary amine

Properties

Molecular formula
C13H17ClN2O2
Molar mass
268.74 g/mol
Exact mass
268.0979 Da
Melting point
137 °C
logP
1.40Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
71320-77-9
SMILES
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
InChIKey
YHXISWVBGDMDLQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

Weigh it out

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

Names and synonyms

11 names
  • Benzamide, 4-chloro-N-[2-(4-morpholinyl)ethyl]-
  • Manerix
  • 4-Chloro-N-[2-(4-morpholinyl)ethyl]benzamide
  • Ro 11-1163
  • 4-Chloro-N-(2-morpholin-4-ylethyl)benzamide
  • Aurorix
  • 4-Chloro-N-(2-morpholinoethyl)benzamide
  • Moclaime
  • Ro 11-1163/000
  • p-Chloro-N-(2-morpholinoethyl)-benzamide
  • Auromid

Work with Moclobemide

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

4-Chloro-N-[2-(4-hydroxyphenyl)ethyl]benzamide41859-57-850 % similar Procainamide hydrochloride614-39-144 % similar 4-Chlorobenzoic acid hydrazide536-40-344 % similar Bezafibrate41859-67-042 % similar 4,4'-Dichlorobenzophenone90-98-239 % similar Pitolisant362665-56-339 % similar (-)-Cetirizine130018-77-838 % similar Cetirizine83881-51-038 % similar

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

Same formula

(S)-Tryptophan ethyl ester hydrochloride2899-28-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook