2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide

C16H17F3N2O2 — CID 173465838

IUPAC2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESNC(=O)C1C(F)C2(CCCCC2)C(=O)N1c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F3N2O2/c17-9-6-10(18)8-11(7-9)21-12(14(20)22)13(19)16(15(21)23)4-2-1-3-5-16/h6-8,12-13H,1-5H2,(H2,20,22)
InChIKeyLIFUOEDICOKPHP-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.45
Rot. Bonds2

About 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide

2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 173465838) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID173465838
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESNC(=O)C1C(F)C2(CCCCC2)C(=O)N1c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F3N2O2/c17-9-6-10(18)8-11(7-9)21-12(14(20)22)13(19)16(15(21)23)4-2-1-3-5-16/h6-8,12-13H,1-5H2,(H2,20,22)
InChIKeyLIFUOEDICOKPHP-UHFFFAOYSA-N
XLogP2.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (CID 173465838) is 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is NC(=O)C1C(F)C2(CCCCC2)C(=O)N1c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is LIFUOEDICOKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-9-6-10(18)8-11(7-9)21-12(14(20)22)13(19)16(15(21)23)4-2-1-3-5-16/h6-8,12-13H,1-5H2,(H2,20,22).
What are the key properties of 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 173465838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).