[3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate

C27H30F2N2O4 — CID 58031218

IUPAC[3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)c(F)cc1C)=C2OC(=O)C(C)(C)C
InChIInChI=1S/C27H30F2N2O4/c1-16-14-21(29)20(17-6-8-18(28)9-7-17)15-19(16)22-23(35-25(33)26(2,3)4)27(30-24(22)32)10-12-31(34-5)13-11-27/h6-9,14-15H,10-13H2,1-5H3,(H,30,32)
InChIKeyVSZOVXRFEABVLW-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.77
Rot. Bonds4

About [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate

[3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate (PubChem CID 58031218) has the molecular formula C27H30F2N2O4 and a molecular weight of 484.54 g/mol. Its IUPAC name is [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
PubChem CID58031218
Molecular FormulaC27H30F2N2O4
Molecular Weight484.54 g/mol
Exact Mass484.22
IUPAC Name[3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
SMILESCON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)c(F)cc1C)=C2OC(=O)C(C)(C)C
InChIInChI=1S/C27H30F2N2O4/c1-16-14-21(29)20(17-6-8-18(28)9-7-17)15-19(16)22-23(35-25(33)26(2,3)4)27(30-24(22)32)10-12-31(34-5)13-11-27/h6-9,14-15H,10-13H2,1-5H3,(H,30,32)
InChIKeyVSZOVXRFEABVLW-UHFFFAOYSA-N
XLogP4.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate (CID 58031218) is [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate is CON1CCC2(CC1)NC(=O)C(c1cc(-c3ccc(F)cc3)c(F)cc1C)=C2OC(=O)C(C)(C)C.
What is the InChIKey of [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The InChIKey is VSZOVXRFEABVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O4/c1-16-14-21(29)20(17-6-8-18(28)9-7-17)15-19(16)22-23(35-25(33)26(2,3)4)27(30-24(22)32)10-12-31(34-5)13-11-27/h6-9,14-15H,10-13H2,1-5H3,(H,30,32).
What are the key properties of [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
[3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate has a molecular weight of 484.54 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-fluoro-5-(4-fluorophenyl)-2-methylphenyl]-8-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 58031218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).