2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

C26H24F3N3O2 — CID 55788431

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H24F3N3O2/c1-31-10-12-32(13-11-31)19-7-8-22(21(15-19)26(27,28)29)30-24(33)14-18-16-34-23-9-6-17-4-2-3-5-20(17)25(18)23/h2-9,15-16H,10-14H2,1H3,(H,30,33)
InChIKeyQOCSPHCCGRALEB-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.54
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55788431) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
PubChem CID55788431
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C26H24F3N3O2/c1-31-10-12-32(13-11-31)19-7-8-22(21(15-19)26(27,28)29)30-24(33)14-18-16-34-23-9-6-17-4-2-3-5-20(17)25(18)23/h2-9,15-16H,10-14H2,1H3,(H,30,33)
InChIKeyQOCSPHCCGRALEB-UHFFFAOYSA-N
XLogP5.54
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-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

Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55788180
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 24635319
2-benzo[e][1]benzofuran-1-yl-N-(2-phenylsulfanylphenyl)acetamide
CID 4728261
2-benzo[e][1]benzofuran-1-yl-N-(2-tert-butyl-5-methylpyrazol-3-yl)acetamide
CID 55727084
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
CID 55788086
2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide (CID 55788431) is 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3coc4ccc5ccccc5c34)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QOCSPHCCGRALEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-31-10-12-32(13-11-31)19-7-8-22(21(15-19)26(27,28)29)30-24(33)14-18-16-34-23-9-6-17-4-2-3-5-20(17)25(18)23/h2-9,15-16H,10-14H2,1H3,(H,30,33).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 467.49 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55788431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).