2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C25H26F3N3O4 — CID 17497264

IUPAC2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c(C)c2c1
InChIInChI=1S/C25H26F3N3O4/c1-3-34-17-8-9-21-18(14-17)16(2)23(35-21)24(33)31-12-10-30(11-13-31)15-22(32)29-20-7-5-4-6-19(20)25(26,27)28/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,32)
InChIKeyBYQMNTGOKWBELU-UHFFFAOYSA-N
MW489.49 g/mol
LogP4.56
Rot. Bonds6

About 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 17497264) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID17497264
Molecular FormulaC25H26F3N3O4
Molecular Weight489.49 g/mol
Exact Mass489.19
IUPAC Name2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c(C)c2c1
InChIInChI=1S/C25H26F3N3O4/c1-3-34-17-8-9-21-18(14-17)16(2)23(35-21)24(33)31-12-10-30(11-13-31)15-22(32)29-20-7-5-4-6-19(20)25(26,27)28/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,32)
InChIKeyBYQMNTGOKWBELU-UHFFFAOYSA-N
XLogP4.56
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 17497264) is 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CCOc1ccc2oc(C(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c(C)c2c1.
What is the InChIKey of 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BYQMNTGOKWBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4/c1-3-34-17-8-9-21-18(14-17)16(2)23(35-21)24(33)31-12-10-30(11-13-31)15-22(32)29-20-7-5-4-6-19(20)25(26,27)28/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 489.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17497264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).