3-(4-fluoroanilino)oxolane-3-carboxamide

C11H13FN2O2 — CID 63335238

IUPAC3-(4-fluoroanilino)oxolane-3-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCOC1
InChIInChI=1S/C11H13FN2O2/c12-8-1-3-9(4-2-8)14-11(10(13)15)5-6-16-7-11/h1-4,14H,5-7H2,(H2,13,15)
InChIKeyVFFFNZQZPSCMFD-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.88
Rot. Bonds3

About 3-(4-fluoroanilino)oxolane-3-carboxamide

3-(4-fluoroanilino)oxolane-3-carboxamide (PubChem CID 63335238) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-(4-fluoroanilino)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-(4-fluoroanilino)oxolane-3-carboxamide
PubChem CID63335238
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name3-(4-fluoroanilino)oxolane-3-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCOC1
InChIInChI=1S/C11H13FN2O2/c12-8-1-3-9(4-2-8)14-11(10(13)15)5-6-16-7-11/h1-4,14H,5-7H2,(H2,13,15)
InChIKeyVFFFNZQZPSCMFD-UHFFFAOYSA-N
XLogP0.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-fluoroanilino)oxane-4-carboxylate
CID 54890141
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
CID 103563294
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
4-(4-fluoroanilino)-N-[2-(4-fluoroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 134918115
1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
CID 106822441
N-[(3S)-3-carbamoyloxolan-3-yl]-6-fluoro-1-benzofuran-3-carboxamide
CID 164630453
ethyl 3-(4-chloroanilino)oxolane-3-carboxylate
CID 63333028
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
5-fluoro-1-(4-fluoroanilino)-2,3-dihydroindene-1-carboxamide
CID 116531217
4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide
CID 107149775
4-[3-chloro-4-(trifluoromethoxy)anilino]oxane-4-carboxamide
CID 171848904

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)oxolane-3-carboxamide?
The IUPAC name of 3-(4-fluoroanilino)oxolane-3-carboxamide (CID 63335238) is 3-(4-fluoroanilino)oxolane-3-carboxamide.
What is the SMILES notation for 3-(4-fluoroanilino)oxolane-3-carboxamide?
The canonical SMILES for 3-(4-fluoroanilino)oxolane-3-carboxamide is NC(=O)C1(Nc2ccc(F)cc2)CCOC1.
What is the InChIKey of 3-(4-fluoroanilino)oxolane-3-carboxamide?
The InChIKey is VFFFNZQZPSCMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-1-3-9(4-2-8)14-11(10(13)15)5-6-16-7-11/h1-4,14H,5-7H2,(H2,13,15).
What are the key properties of 3-(4-fluoroanilino)oxolane-3-carboxamide?
3-(4-fluoroanilino)oxolane-3-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)oxolane-3-carboxamide is sourced from PubChem (CID 63335238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).