Carbamic acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, ethyl ester
Basic information
- CAS
565176-83-2- Standard SMILES
CCOC(=O)Nc1ccc(N2CCOCC2)c(F)c1- InChIKey
BIWOYYCTPLLAHX-UHFFFAOYSA-N- Molecular formula
- C13H17FN2O3
- Average molar mass
- 268.28 g/mol
- Monoisotopic mass
- 268.12232057
Names & identifiers
- Preferred name
- Carbamic acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, ethyl ester
- IUPAC
- ethyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
- English name
- Carbamic acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, ethyl ester
- Molecular formula
- C13H17FN2O3
- Molecular weight
- 268.28
Names & synonyms
565176-83-2Ethyl (3-fluoro-4-morpholinophenyl)carbamateLinezolid Impurity 50Carbamic acid, [3-fluoro-4-(4-morpholinyl)phenyl]-, ethyl esterethyl 3-fluoro-4-morpholinophenylcarbamateethyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamateethyl [3-fluoro-4-(morpholin-4-yl)phenyl]carbamateST093241Carbamic acid, N-[3-fluoro-4-(4-morpholinyl)phenyl]-, ethyl esterethoxy-N-(3-fluoro-4-morpholin-4-ylphenyl)carboxamideLinezolid Inhouse impurity8S2KBE97H8
Show more names
N-ethoxycarbonyl-3-fluoro-4-morpholinyl aniline
SCHEMBL2406029DTXSID10415464BIWOYYCTPLLAHX-UHFFFAOYSA-NSTK688841AKOS005601538DB-351481Ethyl 3-fluoro-4-morpholinylphenylcarbamateH83600
Database identifiers
- CAS
565176-83-2- PubChem CID
- 5306151
- DTXSID
DTXSID10415464- UNII
- 8S2KBE97H8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 355.7 · 355.7±42.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.70(Predicted)
Chemistry & industry
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Compound notes
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