(R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dione

HCID 16655949

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Basic information

CAS: 874340-08-6
Standard SMILES: O=C1c2ccccc2C(=O)N1C[C@H](O)CNc1ccc(N2CCOCC2)c(F)c1
InChIKey: UVDYUDNYSNKZRV-OAHLLOKOSA-N
Molecular formula: C21H22FN3O4
Average molar mass: 399.4 g/mol
Monoisotopic mass: 399.1594344

Overview

(R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dione is a member of morpholines.

Names & identifiers

Preferred name: (R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dione
IUPAC: 2-[(2R)-3-(3-fluoro-4-morpholin-4-ylanilino)-2-hydroxypropyl]isoindole-1,3-dione
English name: N-(3-PhthaliMido-2-(R)-hydroxypropyl)-3-fluoro-4-(Morpholinyl)aniline
Molecular formula: C21H22FN3O4
Molecular weight: 399.42

Names & synonyms

874340-08-6(R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dioneN-(3-Phthalimido-2-(R)-hydroxypropyl)-3-fluoro-4-(morpholinyl)anilineLinezolid Desacetamide Descarbonyl Phthalimide2-[(2R)-3-(3-fluoro-4-morpholin-4-ylanilino)-2-hydroxypropyl]isoindole-1,3-dioneLinezolid Impurity 79N-(3-Phthalimido-2-(R)-hydroxypropyl)-3-fluoro-4-(4-morpholinyl)anilineN-[3-phthalimido-2-(R)-hydroxypropyl]-3-fluoro-4-(4-morpholinyl)anilineUVDYUDNYSNKZRV-OAHLLOKOSA-NJD8R4PE9HSSCHEMBL3941177DTXSID70586523

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Linazolid intermediateLinezolid impurity INT1Linezolid impurity INT1 reference substance(R)-Linezolid Desacetamide Descarbonyl Phthalimide

CHEBI:181268AKOS0252871321H-Isoindole-1,3(2H)-dione, 2-[(2R)-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-hydroxypropyl]-2-[(2R)-3-[[3-Fluoro-4-(4-morpholinyl)phenyl]amino]-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dioneDB-265751LINEZOLID DESACETAMIDE DESCARBONYL PHTHALIMIDE (R)-ISOMERN-[3-pthalimido-2-(R)-hydroxypropyl]-3-fluoro-4-(morpholinyl)aniline(N-(3-PHTHALIMIDO-2-(R)-HYDROXY PROPYL)3-FLUORO-4-MORPHOLINYL) ANILINE)

Database identifiers

CAS: 874340-08-6
PubChem CID: 16655949
DTXSID: DTXSID70586523
ChEBI: CHEBI:181268
UNII: JD8R4PE9HS

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 82.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 576

Physicochemical properties

Melting point: 155 · 155-156 °C
Density: 1.397 · 1.397
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Ethanol (Slightly), Methanol
form: Solid
color: Orange to Dark Orange
InChI: InChI=1S/C21H22FN3O4/c22-18-11-14(5-6-19(18)24-7-9-29-10-8-24)23-12-15(26)13-25-20(27)16-3-1-2-4-17(16)21(25)28/h1-6,11,15,23,26H,7-10,12-13H2/t15-/m1/s1
InChIKey: UVDYUDNYSNKZRV-OAHLLOKOSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1C[C@H](O)CNC1=CC=C(N2CCOCC2)C(F)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338