chempirical

2-Chloro-N-methylacetamide

C3H6ClNOCAS 96-30-0107.54 g/mol

Open in Covalent MOL file
NHOCl
Alkyl halide

Properties

Molecular formula
C3H6ClNO
Molar mass
107.54 g/mol
Exact mass
107.0138 Da
Melting point
45–46 °C
Boiling point
112–130 °C (at 22 Torr)
logP
0.81Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96-30-0
SMILES
CN=C(O)CCl
InChIKey
HOZLOOPIXHWKCI-UHFFFAOYSA-N
InChI
InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

5 names
  • Acetamide, 2-chloro-N-methyl-
  • α-Chloro-N-methylacetamide
  • N-Methylchloroacetamide
  • N-Methyl-2-chloroacetamide
  • NSC 1725

Work with 2-Chloro-N-methylacetamide

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

N-Methylpropionamide1187-58-252 % similar 2-Chloro-N-(1-methylethyl)acetamide2895-21-850 % similar N-Methylol-α-chloroacetamide2832-19-148 % similar N-Methylacetoacetamide20306-75-643 % similar 2-Chloro-N-(3,5-dichlorophenyl)acetamide33560-48-441 % similar Chloroacetanilide587-65-541 % similar 2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-741 % similar N-(2-Chloroacetyl)alanine1190-32-541 % similar

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

Same formula

Azetidin-3-one Hydrochloride17557-84-5 3-Chloropropanamide5875-24-1 Dimethylcarbamoyl chloride79-44-7 O-[(2E)-3-Chloro-2-propen-1-yl]hydroxylamine87851-77-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook