N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide

C25H30ClF3N4O4 — CID 165399077

About N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide

N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide (PubChem CID 165399077) has the molecular formula C25H30ClF3N4O4 and a molecular weight of 542.99 g/mol. Its IUPAC name is N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

• Compound Name: N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide
• PubChem CID: 165399077
• Molecular Formula: C25H30ClF3N4O4
• Molecular Weight: 542.99 g/mol
• Exact Mass: 542.19
• IUPAC Name: N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide
• SMILES: CN(CN1C(=O)NC(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O)C(=O)C(C)(C)C
• InChI: InChI=1S/C25H30ClF3N4O4/c1-23(2,3)20(35)31(4)13-33-21(36)24(16-5-6-16,30-22(33)37)8-7-19(34)32-11-14-9-17(25(27,28)29)18(26)10-15(14)12-32/h9-10,16H,5-8,11-13H2,1-4H3,(H,30,37)
• InChIKey: UZHNWJXYBPHPCO-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.99
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
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 N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide?

The IUPAC name of N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide (CID 165399077) is N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide.

What is the SMILES notation for N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide?

The canonical SMILES for N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide is CN(CN1C(=O)NC(CCC(=O)N2Cc3cc(Cl)c(C(F)(F)F)cc3C2)(C2CC2)C1=O)C(=O)C(C)(C)C.

What is the InChIKey of N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide?

The InChIKey is UZHNWJXYBPHPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF3N4O4/c1-23(2,3)20(35)31(4)13-33-21(36)24(16-5-6-16,30-22(33)37)8-7-19(34)32-11-14-9-17(25(27,28)29)18(26)10-15(14)12-32/h9-10,16H,5-8,11-13H2,1-4H3,(H,30,37).

What are the key properties of N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide?

N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide has a molecular weight of 542.99 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-4-cyclopropyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 165399077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).