3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one

C20H24BrFN2O5 — CID 58428182

IUPAC3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1cc(Br)c(F)cc1C)C(=O)N2OC1CCCO1
InChIInChI=1S/C20H24BrFN2O5/c1-12-10-15(22)14(21)11-13(12)17-18(25)20(5-7-23(27-2)8-6-20)24(19(17)26)29-16-4-3-9-28-16/h10-11,16,25H,3-9H2,1-2H3
InChIKeySLTIWSLVLHDAIW-UHFFFAOYSA-N
MW471.32 g/mol
LogP3.47
Rot. Bonds4

About 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one

3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 58428182) has the molecular formula C20H24BrFN2O5 and a molecular weight of 471.32 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
PubChem CID58428182
Molecular FormulaC20H24BrFN2O5
Molecular Weight471.32 g/mol
Exact Mass470.09
IUPAC Name3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one
SMILESCON1CCC2(CC1)C(O)=C(c1cc(Br)c(F)cc1C)C(=O)N2OC1CCCO1
InChIInChI=1S/C20H24BrFN2O5/c1-12-10-15(22)14(21)11-13(12)17-18(25)20(5-7-23(27-2)8-6-20)24(19(17)26)29-16-4-3-9-28-16/h10-11,16,25H,3-9H2,1-2H3
InChIKeySLTIWSLVLHDAIW-UHFFFAOYSA-N
XLogP3.47
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one (CID 58428182) is 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one is CON1CCC2(CC1)C(O)=C(c1cc(Br)c(F)cc1C)C(=O)N2OC1CCCO1.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is SLTIWSLVLHDAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrFN2O5/c1-12-10-15(22)14(21)11-13(12)17-18(25)20(5-7-23(27-2)8-6-20)24(19(17)26)29-16-4-3-9-28-16/h10-11,16,25H,3-9H2,1-2H3.
What are the key properties of 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one?
3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 471.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylphenyl)-4-hydroxy-8-methoxy-1-(oxolan-2-yloxy)-1,8-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 58428182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).