2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C28H30F5N3O3 — CID 10196496

About 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 10196496) has the molecular formula C28H30F5N3O3 and a molecular weight of 551.56 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 10196496
• Molecular Formula: C28H30F5N3O3
• Molecular Weight: 551.56 g/mol
• Exact Mass: 551.22
• IUPAC Name: 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: CC(C)CC1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)N(C)CC(F)(F)F)c1ccc(F)cc1F
• InChI: InChI=1S/C28H30F5N3O3/c1-15(2)10-22-25(37)34-23(18-11-16-6-4-5-7-17(16)12-18)26(38)36(22)24(20-9-8-19(29)13-21(20)30)27(39)35(3)14-28(31,32)33/h4-9,13,15,18,22-24H,10-12,14H2,1-3H3,(H,34,37)
• InChIKey: ZTSNZKRKRDMIBG-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.56
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 10196496) is 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CC1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)N(C)CC(F)(F)F)c1ccc(F)cc1F.

What is the InChIKey of 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is ZTSNZKRKRDMIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F5N3O3/c1-15(2)10-22-25(37)34-23(18-11-16-6-4-5-7-17(16)12-18)26(38)36(22)24(20-9-8-19(29)13-21(20)30)27(39)35(3)14-28(31,32)33/h4-9,13,15,18,22-24H,10-12,14H2,1-3H3,(H,34,37).

What are the key properties of 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 551.56 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenyl)-2-[5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 10196496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).