2-Chloro-N-(2,6-diethylphenyl)acetamide

C₁₂H₁₆ClNOCAS 6967-29-9225.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆ClNO
Molar mass: 225.72 g/mol
Exact mass: 225.0920 Da
Melting point: 125–128 °C
logP: 3.64Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation93.8% of notifiers
H319 Causes serious eye irritation93.8% of notifiers
H335 May cause respiratory irritation93.8% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6967-29-9

SMILES

CCc1cccc(CC)c1N=C(O)CCl

InChIKey

LBJVHMAYBNQJBK-UHFFFAOYSA-N

InChI

InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(4-2)12(9)14-11(15)8-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)

Weigh it out

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

Names and synonyms

9 names

Acetamide, 2-chloro-N-(2,6-diethylphenyl)-
Acetanilide, 2-chloro-2′,6′-diethyl-
2-Chloro-2′,6′-diethylacetanilide
2′,6′-Diethyl-2-chloroacetanilide
2′,6′-Diethylchloroacetanilide
ω-Chloro-2′,6′-diethylacetanilide
NSC 68291
N-(2,6-Diethylphenyl)chloroacetamide
N-(2,6-Diethylphenyl)-2-chloroacetamide

Work with 2-Chloro-N-(2,6-diethylphenyl)acetamide

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

2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-760 % similar EHIDA63245-28-355 % similar Chloroacetanilide587-65-549 % similar 2-Chloro-N-(3,5-dichlorophenyl)acetamide33560-48-444 % similar 2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-543 % similar 2-Chloro-N-(2-fluorophenyl)acetamide347-66-043 % similar N-Benzyl-2-chloroacetamide2564-06-941 % similar 7-Fluoro-2,3-dihydro-1h-indol-2-one71294-03-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Benzyl-2-(chloromethyl)morpholine40987-25-5 1-Benzyl-3-piperidone hydrochloride hydrate50606-58-1

Elsewhere

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