chempirical

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

C12H16ClNOCAS 6967-29-9225.72 g/mol

Open in Covalent MOL file
NHOCl
Alkyl halide

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

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)

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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-1,3-dihydro-2H-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 hydrochloride50606-58-1

Elsewhere

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