N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide

C23H17F3N2O3 — CID 16605099

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3/c1-13(29)27-16-7-8-19(18(11-16)23(24,25)26)28-21(30)10-15-12-31-20-9-6-14-4-2-3-5-17(14)22(15)20/h2-9,11-12H,10H2,1H3,(H,27,29)(H,28,30)
InChIKeyCHTKCCSILHZKGK-UHFFFAOYSA-N
MW426.39 g/mol
LogP5.74
Rot. Bonds4

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide (PubChem CID 16605099) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
PubChem CID16605099
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C(F)(F)F)c1
InChIInChI=1S/C23H17F3N2O3/c1-13(29)27-16-7-8-19(18(11-16)23(24,25)26)28-21(30)10-15-12-31-20-9-6-14-4-2-3-5-17(14)22(15)20/h2-9,11-12H,10H2,1H3,(H,27,29)(H,28,30)
InChIKeyCHTKCCSILHZKGK-UHFFFAOYSA-N
XLogP5.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.39
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide 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

2-benzo[e][1]benzofuran-1-yl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788431
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 16605098
2-benzo[e][1]benzofuran-1-yl-N-(2,4-difluorophenyl)acetamide
CID 4799876
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-benzo[e][1]benzofuran-1-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1281578
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-nitrophenyl)acetamide
CID 16797044
2-benzo[e][1]benzofuran-1-yl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915193
2-benzo[e][1]benzofuran-1-yl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 4728274
4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55699425
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

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide (CID 16605099) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide is CC(=O)Nc1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide?
The InChIKey is CHTKCCSILHZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c1-13(29)27-16-7-8-19(18(11-16)23(24,25)26)28-21(30)10-15-12-31-20-9-6-14-4-2-3-5-17(14)22(15)20/h2-9,11-12H,10H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide has a molecular weight of 426.39 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide is sourced from PubChem (CID 16605099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).