2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide

C20H18FN3O3 — CID 41144879

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 41144879) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide
• PubChem CID: 41144879
• Molecular Formula: C20H18FN3O3
• Molecular Weight: 367.38 g/mol
• Exact Mass: 367.13
• IUPAC Name: 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide
• SMILES: Cc1cc(F)ccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
• InChI: InChI=1S/C20H18FN3O3/c1-12-10-14(21)6-7-16(12)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)/t20-/m0/s1
• InChIKey: WKBBCCNLSCZETA-FQEVSTJZSA-N
• XLogP: 2.47
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.38
LogP ≤ 5	2.47
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-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide?

The IUPAC name of 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide (CID 41144879) is 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide.

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

The canonical SMILES for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)ccc1NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O.

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

The InChIKey is WKBBCCNLSCZETA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-10-14(21)6-7-16(12)22-17(25)11-24-18(26)20(23-19(24)27)9-8-13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,23,27)/t20-/m0/s1.

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

2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 41144879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).