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

C17H19F3N2O2 — CID 173465850

IUPAC2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESCC1(F)C(C(N)=O)N(c2cc(F)cc(F)c2)C(=O)C12CCCCC2
InChIInChI=1S/C17H19F3N2O2/c1-16(20)13(14(21)23)22(12-8-10(18)7-11(19)9-12)15(24)17(16)5-3-2-4-6-17/h7-9,13H,2-6H2,1H3,(H2,21,23)
InChIKeyBAEWPLFBONNNAQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.84
Rot. Bonds2

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

2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 173465850) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID173465850
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESCC1(F)C(C(N)=O)N(c2cc(F)cc(F)c2)C(=O)C12CCCCC2
InChIInChI=1S/C17H19F3N2O2/c1-16(20)13(14(21)23)22(12-8-10(18)7-11(19)9-12)15(24)17(16)5-3-2-4-6-17/h7-9,13H,2-6H2,1H3,(H2,21,23)
InChIKeyBAEWPLFBONNNAQ-UHFFFAOYSA-N
XLogP2.84
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465891
2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465838
(5S)-2-(3,5-difluorophenyl)-7,7-difluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465845
2-(5-fluoro-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465842
(3,5-difluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829567
2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465878
9-(3-chloro-5-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107370938
1-(3,5-difluorophenyl)-3-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 166541487
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
CID 90808912
ethyl (4S)-4-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxylate
CID 139293918
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (CID 173465850) is 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is CC1(F)C(C(N)=O)N(c2cc(F)cc(F)c2)C(=O)C12CCCCC2.
What is the InChIKey of 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is BAEWPLFBONNNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-16(20)13(14(21)23)22(12-8-10(18)7-11(19)9-12)15(24)17(16)5-3-2-4-6-17/h7-9,13H,2-6H2,1H3,(H2,21,23).
What are the key properties of 2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.84, 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-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 173465850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).