chempirical

2-Chloro-N-methyl-N-(4-nitrophenyl)acetamide

C9H9ClN2O3CAS 2653-16-9228.63 g/mol

Open in Covalent MOL file
NOClN+OO−
Alkyl halideAmideNitro

Properties

Molecular formula
C9H9ClN2O3
Molar mass
228.63 g/mol
Exact mass
228.0302 Da
Melting point
109.5–110 °C
logP
1.80Crippen estimate
Polar surface area
63.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
2653-16-9
SMILES
CN(C(=O)CCl)c1ccc([N+](=O)[O-])cc1
InChIKey
JAWLWNKATJAODJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3

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Names and synonyms

3 names
  • Acetamide, 2-chloro-N-methyl-N-(4-nitrophenyl)-
  • Acetanilide, 2-chloro-N-methyl-4′-nitro-
  • α-Chloro-N-methyl-p-nitroacetanilide

Work with 2-Chloro-N-methyl-N-(4-nitrophenyl)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-methyl-N-phenylacetamide2620-05-557 % similar 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone6402-09-152 % similar 4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-150 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-150 % similar 1-(4-Nitrophenyl)piperidine6574-15-846 % similar 4-Nitrobenzyl chloride100-14-146 % similar 2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one30818-17-846 % similar 1,4-Dinitrobenzene100-25-445 % similar

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

Elsewhere

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