5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

C24H23F5N4O4 — CID 167665905

About 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (PubChem CID 167665905) has the molecular formula C24H23F5N4O4 and a molecular weight of 526.46 g/mol. Its IUPAC name is 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
• PubChem CID: 167665905
• Molecular Formula: C24H23F5N4O4
• Molecular Weight: 526.46 g/mol
• Exact Mass: 526.16
• IUPAC Name: 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
• SMILES: CNC(=O)N1CC2(C1)C(=O)N(c1ccc(OC(F)(F)F)cc1)CC(=O)N2Cc1ccc(C(C)(F)F)cc1
• InChI: InChI=1S/C24H23F5N4O4/c1-22(25,26)16-5-3-15(4-6-16)11-33-19(34)12-32(17-7-9-18(10-8-17)37-24(27,28)29)20(35)23(33)13-31(14-23)21(36)30-2/h3-10H,11-14H2,1-2H3,(H,30,36)
• InChIKey: SQEAJRRLHNRZJA-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.46
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

The IUPAC name of 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (CID 167665905) is 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

What is the SMILES notation for 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

The canonical SMILES for 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is CNC(=O)N1CC2(C1)C(=O)N(c1ccc(OC(F)(F)F)cc1)CC(=O)N2Cc1ccc(C(C)(F)F)cc1.

What is the InChIKey of 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

The InChIKey is SQEAJRRLHNRZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N4O4/c1-22(25,26)16-5-3-15(4-6-16)11-33-19(34)12-32(17-7-9-18(10-8-17)37-24(27,28)29)20(35)23(33)13-31(14-23)21(36)30-2/h3-10H,11-14H2,1-2H3,(H,30,36).

What are the key properties of 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?

5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 526.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-6,9-dioxo-8-[4-(trifluoromethoxy)phenyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167665905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).