2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide

C22H22ClN3O3 — CID 75385947

About 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide

2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 75385947) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide
• PubChem CID: 75385947
• Molecular Formula: C22H22ClN3O3
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.13
• IUPAC Name: 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide
• SMILES: CCc1cccc(C)c1NC(=O)CN1C(=O)NC2(CCc3cc(Cl)ccc32)C1=O
• InChI: InChI=1S/C22H22ClN3O3/c1-3-14-6-4-5-13(2)19(14)24-18(27)12-26-20(28)22(25-21(26)29)10-9-15-11-16(23)7-8-17(15)22/h4-8,11H,3,9-10,12H2,1-2H3,(H,24,27)(H,25,29)
• InChIKey: UYAXDIFVLWIVHJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide?

The IUPAC name of 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 75385947) is 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide.

What is the SMILES notation for 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide?

The canonical SMILES for 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CN1C(=O)NC2(CCc3cc(Cl)ccc32)C1=O.

What is the InChIKey of 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide?

The InChIKey is UYAXDIFVLWIVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-3-14-6-4-5-13(2)19(14)24-18(27)12-26-20(28)22(25-21(26)29)10-9-15-11-16(23)7-8-17(15)22/h4-8,11H,3,9-10,12H2,1-2H3,(H,24,27)(H,25,29).

What are the key properties of 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide?

2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 75385947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).