Methyl 4-acetamido-5-chloro-2-methoxybenzoate

C11H12ClNO4CAS 4093-31-6257.67 g/mol

Open in Covalent MOL file
OOClNHOO
Aryl halideEsterEther

Properties

Molecular formula
C11H12ClNO4
Molar mass
257.67 g/mol
Exact mass
257.0455 Da
Melting point
153 °C
logP
2.74Crippen estimate
Polar surface area
68.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
4093-31-6
SMILES
COC(=O)c1cc(Cl)c(N=C(C)O)cc1OC
InChIKey
OUEXNQRVYGYGIK-UHFFFAOYSA-N
InChI
InChI=1S/C11H12ClNO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)

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Names and synonyms

9 names
  • Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester
  • o-Anisic acid, 4-acetamido-5-chloro-, methyl ester
  • Methyl 4-acetamido-5-chloro-o-anisate
  • Methyl 2-methoxy-4-acetamido-5-chlorobenzoate
  • Methyl 2-methoxy-4-acetylamino-5-chlorobenzoate
  • 4-Acetamido-5-chloro-2-methoxybenzoic acid methyl ester
  • Methyl 4-acetylamino-5-chloro-2-methoxybenzoate
  • 4-Acetylamino-5-chloro-2-methoxybenzoic acid methyl ester
  • Methyl 4-(acetylamino)-5-chloro-2-(methyloxy)benzoate

Work with Methyl 4-acetamido-5-chloro-2-methoxybenzoate

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

Methyl 4-acetamido-2-methoxybenzoate4093-29-260 % similar 2-Acetamido-5-chlorobenzoic Acid Methyl Ester20676-54-458 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-051 % similar Methyl 4-chloro-7-methoxyquinoline-6-carboxylate205448-66-448 % similar Methyl 4-acetamido-2-hydroxybenzoate4093-28-146 % similar Methyl 3-chloro-p-anisate37908-98-845 % similar Ethopabate59-06-345 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(2-Chloroacetyl)-L-tyrosine1145-56-8

Elsewhere

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