Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

C₁₄H₁₂Cl₂FNO₃CAS 105392-26-5332.15 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ester Imine

Properties

Molecular formula: C₁₄H₁₂Cl₂FNO₃
Molar mass: 332.15 g/mol
Exact mass: 331.0178 Da
logP: 3.81Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

105392-26-5

SMILES

COC(=O)C(=C(C1=CC(=C(C=C1Cl)Cl)F)O)C=NC2CC2

InChIKey

SOERDDQRVKVCEI-UHFFFAOYSA-N

InChI

InChI=1S/C14H12Cl2FNO3/c1-21-14(20)9(6-18-7-2-3-7)13(19)8-4-12(17)11(16)5-10(8)15/h4-7,19H,2-3H2,1H3

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Names and synonyms

1 names

Methyl 3-cyclopropylamino-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

Work with Methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)acrylate

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 2-amino-4-chloro-5-fluorobenzoate104901-79-339 % similar 2′,4′-Dichloro-5′-fluoroacetophenone704-10-938 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-236 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-136 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-034 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-133 % similar Fluoroquinolonic acid86393-33-133 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-432 % similar

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

Elsewhere

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