2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride

C21H21ClF2N4O3 — CID 173105900

About 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride

2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride (PubChem CID 173105900) has the molecular formula C21H21ClF2N4O3 and a molecular weight of 450.87 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride
• PubChem CID: 173105900
• Molecular Formula: C21H21ClF2N4O3
• Molecular Weight: 450.87 g/mol
• Exact Mass: 450.13
• IUPAC Name: 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride
• SMILES: CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CNCc3cc(F)cc(F)c3)cc1C2.Cl
• InChI: InChI=1S/C21H20F2N4O3.ClH/c1-27-20(30)26-19(29)21(27)8-13-2-3-17(6-14(13)9-21)25-18(28)11-24-10-12-4-15(22)7-16(23)5-12;/h2-7,24H,8-11H2,1H3,(H,25,28)(H,26,29,30);1H/t21-;/m0./s1
• InChIKey: SKJJVFRZJHUDQY-BOXHHOBZSA-N
• XLogP: 2.13
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.87
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
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-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride?

The IUPAC name of 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride (CID 173105900) is 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride.

What is the SMILES notation for 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride?

The canonical SMILES for 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride is CN1C(=O)NC(=O)[C@@]12Cc1ccc(NC(=O)CNCc3cc(F)cc(F)c3)cc1C2.Cl.

What is the InChIKey of 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride?

The InChIKey is SKJJVFRZJHUDQY-BOXHHOBZSA-N. The full InChI is InChI=1S/C21H20F2N4O3.ClH/c1-27-20(30)26-19(29)21(27)8-13-2-3-17(6-14(13)9-21)25-18(28)11-24-10-12-4-15(22)7-16(23)5-12;/h2-7,24H,8-11H2,1H3,(H,25,28)(H,26,29,30);1H/t21-;/m0./s1.

What are the key properties of 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride?

2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride has a molecular weight of 450.87 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride is sourced from PubChem (CID 173105900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).