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

C13H17FN2O3CAS 1332524-01-2268.29 g/mol

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OOHNOHNF
AmideAryl halideEsterSecondary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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 4-Bromo-2-fluoro-N-methylbenzamide749927-69-348 % similar 4-Amino-2-fluoro-N-methylbenzamide915087-25-148 % similar Methyl 2,4-difluorobenzoate106614-28-236 % similar Dimethyl 2-fluoroterephthalate5292-47-736 % similar 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-235 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-535 % similar 4-Fluoro-N-methylbenzamide701-49-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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