N-(3-Fluoro-4-((methylamino)carbonyl)phenyl)-2-methylalanine methyl ester

C₁₃H₁₇FN₂O₃CAS 1332524-01-2268.29 g/mol

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Amide Aryl halide Ester Secondary amine

Properties

Molecular formula: C₁₃H₁₇FN₂O₃
Molar mass: 268.29 g/mol
Exact mass: 268.1223 Da
logP: 1.55Crippen estimate
Polar surface area: 67.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Identifiers

CAS number

1332524-01-2

SMILES

CC(C)(C(=O)OC)NC1=CC(=C(C=C1)C(=O)NC)F

InChIKey

MLHUTKWFDCMHQO-UHFFFAOYSA-N

InChI

InChI=1S/C13H17FN2O3/c1-13(2,12(18)19-4)16-8-5-6-9(10(14)7-8)11(17)15-3/h5-7,16H,1-4H3,(H,15,17)

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Names and synonyms

1 names

N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine methyl ester

Work with N-(3-Fluoro-4-((methylamino)carbonyl)phenyl)-2-methylalanine methyl ester

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-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine1289942-66-068 % similar Dimethyl 2-fluoroterephthalate5292-47-736 % similar 2,4-Difluorobenzoic acid hydrazide118737-62-533 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-533 % similar 4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide757251-39-132 % similar 4-[(1-Cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide915087-26-231 % similar Methyl 2-fluorobenzoate394-35-430 % similar

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

Elsewhere

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