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

C20H15ClF3N3O3 — CID 40857381

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

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 40857381) has the molecular formula C20H15ClF3N3O3 and a molecular weight of 437.81 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
• PubChem CID: 40857381
• Molecular Formula: C20H15ClF3N3O3
• Molecular Weight: 437.81 g/mol
• Exact Mass: 437.08
• IUPAC Name: N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
• SMILES: O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1C(F)(F)F
• InChI: InChI=1S/C20H15ClF3N3O3/c21-14-7-3-6-13(20(22,23)24)16(14)25-15(28)10-27-17(29)19(26-18(27)30)9-8-11-4-1-2-5-12(11)19/h1-7H,8-10H2,(H,25,28)(H,26,30)/t19-/m1/s1
• InChIKey: NXAAKKHOIUCDPR-LJQANCHMSA-N
• XLogP: 3.69
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.81
LogP ≤ 5	3.69
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 N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?

The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 40857381) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

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

The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1c(Cl)cccc1C(F)(F)F.

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

The InChIKey is NXAAKKHOIUCDPR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H15ClF3N3O3/c21-14-7-3-6-13(20(22,23)24)16(14)25-15(28)10-27-17(29)19(26-18(27)30)9-8-11-4-1-2-5-12(11)19/h1-7H,8-10H2,(H,25,28)(H,26,30)/t19-/m1/s1.

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

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 437.81 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 40857381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).