chempirical

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide

C12H14ClNO4CAS 4433-79-8271.70 g/mol

Open in Covalent MOL file
OHNOOOCl
Aryl halideEtherKetone

Properties

Molecular formula
C12H14ClNO4
Molar mass
271.70 g/mol
Exact mass
271.0611 Da
Melting point
99 °C
logP
2.92Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
4433-79-8
SMILES
COc1cc(N=C(O)CC(C)=O)c(OC)cc1Cl
InChIKey
MOUVJGIRLPZEES-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClNO4/c1-7(15)4-12(16)14-9-6-10(17-2)8(13)5-11(9)18-3/h5-6H,4H2,1-3H3,(H,14,16)

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

Names and synonyms

24 names · show all
  • Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-
  • Acetoacetanilide, 4′-chloro-2′,5′-dimethoxy-
  • C.I. 37613
  • N-Acetoacetyl-5-chloro-2-amino-1,4-dimethoxybenzene
  • C.I. Azoic coupling component 44
  • Naphtanilide LRG
  • Naphtazol 4J
  • Naphthol AS-IRG
  • Naphtol AS-IRG
  • Naphtol AS-LGLL
  • 1-Acetoacetylamino-2,5-dimethoxy-4-chlorobenzene
  • 4′-Chloro-2′,5′-dimethoxyacetoacetanilide
  • Acetoacetyl-2,5-dimethoxy-4-chloroanilide
  • N-Acetoacetyl-4-chloro-2,5-dimethoxyaniline
  • Naphthol AS 13GH
  • N-(2,5-Dimethoxy-4-chlorophenyl)acetoacetamide
  • Acetoaceto-2,5-dimethoxy-4-chloroanilide
  • N-(2,5-Dimethoxy-4-chlorophenyl)-3-oxobutanamide
  • 2,5-Dimethoxy-4-chloro-N-acetoacetyl aniline
  • NSC 50638
  • Naftol AS-IRG
  • Yellow base GC
  • Napthol ASIRG
  • 1-Acetoacetylamino-4-chloro-2,5-dimethoxy-benzene

Work with N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide

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-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-064 % similar N-(2,5-Dimethoxyphenyl)-3-oxobutanamide6375-27-564 % similar O-Acetoacetanisidide92-15-961 % similar N-(2-Chlorophenyl)-3-oxobutanamide93-70-960 % similar N-(2,5-Dichlorophenyl)-3-oxobutanamide2044-72-656 % similar 2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide846023-24-351 % similar Pigment yellow 835567-15-745 % similar N-(2,4-Dimethylphenyl)-3-oxobutanamide97-36-945 % similar

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

Elsewhere

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