2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione

C15H17FN2O2 — CID 43437101

IUPAC2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESNc1ccc(F)c(N2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C15H17FN2O2/c16-11-5-4-10(17)8-12(11)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2
InChIKeyBVOPOEPYDXAOEL-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.62
Rot. Bonds1

About 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione

2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 43437101) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID43437101
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESNc1ccc(F)c(N2C(=O)CC3(CCCCC3)C2=O)c1
InChIInChI=1S/C15H17FN2O2/c16-11-5-4-10(17)8-12(11)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2
InChIKeyBVOPOEPYDXAOEL-UHFFFAOYSA-N
XLogP2.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62930708
2-(2-amino-4-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43437122
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43381801
2-(2-bromo-5-chlorophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 81274217
2-(2-bromo-4-methylphenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385991
4-chloro-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzonitrile
CID 60703133
2-(2-bromophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43385968
1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
CID 16771885
2-[5-(aminomethyl)-2-methylphenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 62103760
2-(2-methoxyphenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 12885054
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
CID 11673993
2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione (CID 43437101) is 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione is Nc1ccc(F)c(N2C(=O)CC3(CCCCC3)C2=O)c1.
What is the InChIKey of 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is BVOPOEPYDXAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-5-4-10(17)8-12(11)18-13(19)9-15(14(18)20)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2.
What are the key properties of 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 276.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-fluorophenyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 43437101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).