Methyl 4-acetamido-5-chloro-2-ethoxybenzoate

C₁₂H₁₄ClNO₄CAS 4235-43-2271.70 g/mol

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Amide Aryl halide Ester Ether

Properties

Molecular formula: C₁₂H₁₄ClNO₄
Molar mass: 271.70 g/mol
Exact mass: 271.0611 Da
logP: 2.48Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

4235-43-2

SMILES

CCOC1=CC(=C(C=C1C(=O)OC)Cl)NC(=O)C

InChIKey

RPOGJJLTBMSAKR-UHFFFAOYSA-N

InChI

InChI=1S/C12H14ClNO4/c1-4-18-11-6-10(14-7(2)15)9(13)5-8(11)12(16)17-3/h5-6H,4H2,1-3H3,(H,14,15)

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Names and synonyms

1 names

4-Acetamino-5-chloro-2-ethoxy methyl benzoate

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

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

4-Acetamido-5-chloro-2-methoxybenzoic acid24201-13-652 % similar Methyl 2-ethoxybenzoate3686-55-346 % similar Ethopabate59-06-345 % similar 4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-841 % similar Methyl 2-chlorobenzoate610-96-841 % similar Methyl 4-acetamido-5-chloro-2-methoxybenzoate4093-31-641 % similar Methyl 2,3-dichlorobenzoate2905-54-639 % similar Methyl 2,5-dichlorobenzoate2905-69-338 % similar

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

Same formula

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide4433-79-8

Elsewhere

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