Moclobemide

C₁₃H₁₇ClN₂O₂CAS 71320-77-9268.74 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Tertiary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation91.7% of notifiers
H318 Causes serious eye damage89.6% of notifiers
H335 May cause respiratory irritation89.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

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 Diethyl (4-chlorobenzamido)propanedioate81918-01-639 % similar Pitolisant362665-56-339 % similar 4-Chloro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]benzamide188591-46-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Tryptophan ethyl ester hydrochloride2899-28-7 H-D-Trp-oet hcl61535-49-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook