methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate

C14H17FN2O4 — CID 118213844

IUPACmethyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
SMILESCNC(=O)c1ccc(N[C@]2(C(=O)OC)CCOC2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-16-12(18)10-4-3-9(7-11(10)15)17-14(13(19)20-2)5-6-21-8-14/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyLLOXPTDOECLEOD-CQSZACIVSA-N
MW296.30 g/mol
LogP0.93
Rot. Bonds4

About methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate

methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate (PubChem CID 118213844) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
PubChem CID118213844
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Namemethyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate
SMILESCNC(=O)c1ccc(N[C@]2(C(=O)OC)CCOC2)cc1F
InChIInChI=1S/C14H17FN2O4/c1-16-12(18)10-4-3-9(7-11(10)15)17-14(13(19)20-2)5-6-21-8-14/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyLLOXPTDOECLEOD-CQSZACIVSA-N
XLogP0.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-methyl-4-[(1-propanoylcyclobutyl)amino]benzamide
CID 170173664
2-fluoro-4-[(1-isocyanocyclopentyl)amino]-N-methylbenzamide
CID 123687017
2-fluoro-N-methyl-4-[[1-(oxomethyl)cyclobutyl]amino]benzamide;yttrium
CID 153370073
4-[(1-cyanocyclohexyl)amino]-2-fluoro-N-methylbenzamide
CID 118398490
methyl 3-(3-fluoro-5-methylanilino)oxane-3-carboxylate
CID 79050284
ethyl 3-(4-chloroanilino)oxolane-3-carboxylate
CID 63333028
[3-fluoro-4-(methylcarbamoyl)anilino] (3R)-oxolane-3-carboxylate
CID 175138014
4-[(3-cyanooxolan-3-yl)amino]-2-fluoro-N-methylbenzamide;deuterio(fluoro)methane;1-isocyano-4-isothiocyanato-2-(trifluoromethyl)benzene
CID 160610133
3-(4-fluoroanilino)oxolane-3-carboxamide
CID 63335238
2-fluoro-N-methyl-4-[(2-methyl-1-oxopropan-2-yl)amino]benzamide
CID 88957064
2-fluoro-4-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 104929999
4-[(3-aminooxolane-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103869180

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate?
The IUPAC name of methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate (CID 118213844) is methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate?
The canonical SMILES for methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate is CNC(=O)c1ccc(N[C@]2(C(=O)OC)CCOC2)cc1F.
What is the InChIKey of methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate?
The InChIKey is LLOXPTDOECLEOD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-16-12(18)10-4-3-9(7-11(10)15)17-14(13(19)20-2)5-6-21-8-14/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate?
methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylate is sourced from PubChem (CID 118213844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).