4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid

C14H17FN2O4 — CID 66247051

IUPAC4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid
SMILESCCN(c1ccc(F)cc1C(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-2-17(12-7-21-6-10(12)14(19)20)11-4-3-8(15)5-9(11)13(16)18/h3-5,10,12H,2,6-7H2,1H3,(H2,16,18)(H,19,20)
InChIKeyFMYPXKAOYAHWSV-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.85
Rot. Bonds5

About 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid

4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid (PubChem CID 66247051) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid
PubChem CID66247051
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid
SMILESCCN(c1ccc(F)cc1C(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C14H17FN2O4/c1-2-17(12-7-21-6-10(12)14(19)20)11-4-3-8(15)5-9(11)13(16)18/h3-5,10,12H,2,6-7H2,1H3,(H2,16,18)(H,19,20)
InChIKeyFMYPXKAOYAHWSV-UHFFFAOYSA-N
XLogP0.85
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-fluoro-2-(methylcarbamoyl)phenyl]-2-(hydroxymethyl)-2H-imidazol-1-yl]propanoic acid
CID 18970352
(3R)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 118202088
3-[3-Fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 118202089
3-Fluoro-2-(oxolan-3-ylamino)benzamide
CID 121349250
2-Fluoro-6-[(2-oxooxolan-3-yl)amino]benzamide
CID 121349252
N-fluoro-2-[(2-oxooxolan-3-yl)amino]benzamide
CID 121349254
2-Fluoro-6-(oxolan-3-ylamino)benzamide
CID 121349279
(2S,3R)-2-[(2-amino-4-fluorobenzoyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 141145860
(3S)-3-[3-fluoro-4-(methylcarbamoyl)anilino]oxolane-3-carboxylic acid
CID 151206009
N-[4-fluoro-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 3732319
N-[2-[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]-4-fluorophenyl]acetamide
CID 4994680
Methyl 3-[1-(2-acetamido-5-fluorobenzoyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 5154958

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid (CID 66247051) is 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid is CCN(c1ccc(F)cc1C(N)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid?
The InChIKey is FMYPXKAOYAHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-17(12-7-21-6-10(12)14(19)20)11-4-3-8(15)5-9(11)13(16)18/h3-5,10,12H,2,6-7H2,1H3,(H2,16,18)(H,19,20).
What are the key properties of 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid?
4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyl-N-ethyl-4-fluoroanilino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66247051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).