2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide

C17H21FN2O3 — CID 173465878

IUPAC2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESCC1(O)CCC2(CC1)CC(C(N)=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C17H21FN2O3/c1-16(23)6-8-17(9-7-16)10-13(14(19)21)20(15(17)22)12-4-2-11(18)3-5-12/h2-5,13,23H,6-10H2,1H3,(H2,19,21)
InChIKeyPNPVKOHRLRAGON-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.73
Rot. Bonds2

About 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide

2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (PubChem CID 173465878) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
PubChem CID173465878
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide
SMILESCC1(O)CCC2(CC1)CC(C(N)=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C17H21FN2O3/c1-16(23)6-8-17(9-7-16)10-13(14(19)21)20(15(17)22)12-4-2-11(18)3-5-12/h2-5,13,23H,6-10H2,1H3,(H2,19,21)
InChIKeyPNPVKOHRLRAGON-UHFFFAOYSA-N
XLogP1.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[2-Fluoro-5-(2-oxopyrrolidin-1-yl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 53537397
2-(2-Fluorophenyl)-5-[methyl(phenyl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 19709472
2-(2-Fluorophenyl)-5-[methyl(phenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 19709552
8-Hydroxy-8-propyl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58229905
8-Hydroxy-8-(prop-1-en-2-yl)-2-(4-(trifluoromethyl)phenyl)-2-aza-spiro[4.5]decan-1-one
CID 58229949
8-Hydroxy-8-propyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58229973
8-Ethyl-8-hydroxy-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58229996
8-Hydroxy-8-(3-methoxypropyl)-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58230014
8-Hydroxy-8-propyl-2-[4-(3,3,3-trifluoropropyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58230065
2-(4-Tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
CID 58230068
8-Hydroxy-8-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58230121
8-Hydroxy-8-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decan-1-one
CID 58230132

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide (CID 173465878) is 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is CC1(O)CCC2(CC1)CC(C(N)=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is PNPVKOHRLRAGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-16(23)6-8-17(9-7-16)10-13(14(19)21)20(15(17)22)12-4-2-11(18)3-5-12/h2-5,13,23H,6-10H2,1H3,(H2,19,21).
What are the key properties of 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide?
2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-hydroxy-8-methyl-1-oxo-2-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 173465878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).