2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C24H23F3N4O3 — CID 40966969

About 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 40966969) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 40966969
• Molecular Formula: C24H23F3N4O3
• Molecular Weight: 472.47 g/mol
• Exact Mass: 472.17
• IUPAC Name: 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1
• InChI: InChI=1S/C24H23F3N4O3/c25-24(26,27)16-7-8-19(30-11-3-4-12-30)18(13-16)28-20(32)14-31-21(33)23(29-22(31)34)10-9-15-5-1-2-6-17(15)23/h1-2,5-8,13H,3-4,9-12,14H2,(H,28,32)(H,29,34)/t23-/m1/s1
• InChIKey: JOLFPLKGSOEWSZ-HSZRJFAPSA-N
• XLogP: 3.64
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.47
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 40966969) is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1.

What is the InChIKey of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?

The InChIKey is JOLFPLKGSOEWSZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c25-24(26,27)16-7-8-19(30-11-3-4-12-30)18(13-16)28-20(32)14-31-21(33)23(29-22(31)34)10-9-15-5-1-2-6-17(15)23/h1-2,5-8,13H,3-4,9-12,14H2,(H,28,32)(H,29,34)/t23-/m1/s1.

What are the key properties of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 472.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 40966969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).