chempirical

[3-Fluoro-4-(4-morpholinyl)phenyl]carbamic acid phenylmethyl ester

C18H19FN2O3CAS 168828-81-7330.36 g/mol

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OHNNOFO
Aryl halideEtherTertiary amine

Properties

Molecular formula
C18H19FN2O3
Molar mass
330.36 g/mol
Exact mass
330.1380 Da
Melting point
122.5–123.7 °C
logP
3.42Crippen estimate
Polar surface area
54.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
168828-81-7
SMILES
OC(=Nc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1
InChIKey
XKGUZGHMWUIYDR-UHFFFAOYSA-N
InChI
InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)

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Names and synonyms

6 names
  • Carbamic acid, N-[3-fluoro-4-(4-morpholinyl)phenyl]-, phenylmethyl ester
  • Carbamic acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, phenylmethyl ester
  • N-Benzyloxycarbonyl-3-fluoro-4-morpholinoaniline
  • Benzyl 3-fluoro-4-(4-morpholinyl)phenylcarbamate
  • N-(Benzyloxycarbonyl)-3-fluoro-4-(4-morpholinyl)aniline
  • (3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester

Work with [3-Fluoro-4-(4-morpholinyl)phenyl]carbamic acid phenylmethyl 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

Phenylmethyl N-(4-bromo-3-fluorophenyl)carbamate510729-01-862 % similar Benzyl N-hydroxycarbamate3426-71-942 % similar Phenylmethyl hydrazinecarboxylate5331-43-141 % similar 4-(2-Fluoro-4-nitrophenyl)morpholine2689-39-640 % similar Benzyloxycarbonylglycine1138-80-338 % similar Phenylmethyl N-(2-amino-2-oxoethyl)carbamate949-90-638 % similar Linezolid165800-03-337 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-837 % similar

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

Elsewhere

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