N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C30H26Cl4F3N3O3 — CID 87917903

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 87917903) has the molecular formula C30H26Cl4F3N3O3 and a molecular weight of 675.36 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
• PubChem CID: 87917903
• Molecular Formula: C30H26Cl4F3N3O3
• Molecular Weight: 675.36 g/mol
• Exact Mass: 673.07
• IUPAC Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
• SMILES: O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1Cc1ccc(C(F)(F)F)cc1)NCCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C30H26Cl4F3N3O3/c31-22-7-3-19(24(33)13-22)9-11-38-27(41)15-26-29(43)39(12-10-20-4-8-23(32)14-25(20)34)17-28(42)40(26)16-18-1-5-21(6-2-18)30(35,36)37/h1-8,13-14,26H,9-12,15-17H2,(H,38,41)
• InChIKey: GATASYLQXMZTDG-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.36
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?

The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 87917903) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is O=C(CC1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1Cc1ccc(C(F)(F)F)cc1)NCCc1ccc(Cl)cc1Cl.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?

The InChIKey is GATASYLQXMZTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl4F3N3O3/c31-22-7-3-19(24(33)13-22)9-11-38-27(41)15-26-29(43)39(12-10-20-4-8-23(32)14-25(20)34)17-28(42)40(26)16-18-1-5-21(6-2-18)30(35,36)37/h1-8,13-14,26H,9-12,15-17H2,(H,38,41).

What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?

N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 675.36 g/mol, XLogP of 6.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-[2-(2,4-dichlorophenyl)ethyl]-3,6-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 87917903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).