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

C17H20F2N2O2 — CID 173465891

IUPAC4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESCC1(F)C(C(N)=O)N(c2cccc(F)c2)C(=O)C12CCCCC2
InChIInChI=1S/C17H20F2N2O2/c1-16(19)13(14(20)22)21(12-7-5-6-11(18)10-12)15(23)17(16)8-3-2-4-9-17/h5-7,10,13H,2-4,8-9H2,1H3,(H2,20,22)
InChIKeyJHOBAMVJDZCTMT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.70
Rot. Bonds2

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

4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 173465891) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID173465891
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESCC1(F)C(C(N)=O)N(c2cccc(F)c2)C(=O)C12CCCCC2
InChIInChI=1S/C17H20F2N2O2/c1-16(19)13(14(20)22)21(12-7-5-6-11(18)10-12)15(23)17(16)8-3-2-4-9-17/h5-7,10,13H,2-4,8-9H2,1H3,(H2,20,22)
InChIKeyJHOBAMVJDZCTMT-UHFFFAOYSA-N
XLogP2.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-4-fluoro-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465850
2-(3,5-difluorophenyl)-4-fluoro-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465838
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
2-(5-fluoro-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
CID 173465842
3-ethyl-1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955381
2-(3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 84787376
3-(3-fluorophenyl)-5,5,6,6-tetramethyl-1,3-diazinane-2,4-dione
CID 65261333
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64955305
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (CID 173465891) is 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is CC1(F)C(C(N)=O)N(c2cccc(F)c2)C(=O)C12CCCCC2.
What is the InChIKey of 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is JHOBAMVJDZCTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-16(19)13(14(20)22)21(12-7-5-6-11(18)10-12)15(23)17(16)8-3-2-4-9-17/h5-7,10,13H,2-4,8-9H2,1H3,(H2,20,22).
What are the key properties of 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-fluorophenyl)-4-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 173465891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).