N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C22H19ClF3N3O3 — CID 42989218

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 42989218) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 42989218
• Molecular Formula: C22H19ClF3N3O3
• Molecular Weight: 465.86 g/mol
• Exact Mass: 465.11
• IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: CC1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O
• InChI: InChI=1S/C22H19ClF3N3O3/c1-21(14-6-5-12-3-2-4-13(12)9-14)19(31)29(20(32)28-21)11-18(30)27-15-7-8-17(23)16(10-15)22(24,25)26/h5-10H,2-4,11H2,1H3,(H,27,30)(H,28,32)
• InChIKey: DEOCAUNBWMPMLF-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.86
LogP ≤ 5	4.25
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-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 42989218) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O.

What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is DEOCAUNBWMPMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c1-21(14-6-5-12-3-2-4-13(12)9-14)19(31)29(20(32)28-21)11-18(30)27-15-7-8-17(23)16(10-15)22(24,25)26/h5-10H,2-4,11H2,1H3,(H,27,30)(H,28,32).

What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 465.86 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 42989218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).