2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane

C28H31F4N3O4 — CID 164570220

About 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane

2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane (PubChem CID 164570220) has the molecular formula C28H31F4N3O4 and a molecular weight of 549.57 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane
• PubChem CID: 164570220
• Molecular Formula: C28H31F4N3O4
• Molecular Weight: 549.57 g/mol
• Exact Mass: 549.23
• IUPAC Name: 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane
• SMILES: CCC.CN1C(=O)C(c2ccccc2)C2(CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)C1=O
• InChI: InChI=1S/C25H23F4N3O4.C3H8/c1-31-22(35)20(15-5-3-2-4-6-15)24(23(31)36)9-11-32(12-10-24)19(33)14-30-21(34)17-13-16(25(27,28)29)7-8-18(17)26;1-3-2/h2-8,13,20H,9-12,14H2,1H3,(H,30,34);3H2,1-2H3
• InChIKey: LBWWCGLAGQWPGI-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.57
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

The IUPAC name of 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane (CID 164570220) is 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane.

What is the SMILES notation for 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

The canonical SMILES for 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane is CCC.CN1C(=O)C(c2ccccc2)C2(CCN(C(=O)CNC(=O)c3cc(C(F)(F)F)ccc3F)CC2)C1=O.

What is the InChIKey of 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

The InChIKey is LBWWCGLAGQWPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N3O4.C3H8/c1-31-22(35)20(15-5-3-2-4-6-15)24(23(31)36)9-11-32(12-10-24)19(33)14-30-21(34)17-13-16(25(27,28)29)7-8-18(17)26;1-3-2/h2-8,13,20H,9-12,14H2,1H3,(H,30,34);3H2,1-2H3.

What are the key properties of 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane?

2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane has a molecular weight of 549.57 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-(2-methyl-1,3-dioxo-4-phenyl-2,8-diazaspiro[4.5]decan-8-yl)-2-oxoethyl]-5-(trifluoromethyl)benzamide;propane is sourced from PubChem (CID 164570220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).