2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide

C22H22FN3O3 — CID 18118794

About 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 18118794) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
• PubChem CID: 18118794
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.16
• IUPAC Name: 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
• SMILES: O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCCc1cccc(F)c1
• InChI: InChI=1S/C22H22FN3O3/c23-17-8-3-5-15(13-17)10-12-24-19(27)14-26-20(28)22(25-21(26)29)11-4-7-16-6-1-2-9-18(16)22/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,24,27)(H,25,29)
• InChIKey: TUOFFIBVUGDAKK-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	2.27
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-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?

The IUPAC name of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 18118794) is 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide.

What is the SMILES notation for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?

The canonical SMILES for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide is O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)NCCc1cccc(F)c1.

What is the InChIKey of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?

The InChIKey is TUOFFIBVUGDAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-8-3-5-15(13-17)10-12-24-19(27)14-26-20(28)22(25-21(26)29)11-4-7-16-6-1-2-9-18(16)22/h1-3,5-6,8-9,13H,4,7,10-12,14H2,(H,24,27)(H,25,29).

What are the key properties of 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide?

2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18118794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).