N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide

C21H19F3N2O3 — CID 16605098

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1
InChIInChI=1S/C21H19F3N2O3/c1-3-13-4-6-16-14(11-29-19(16)8-13)9-20(28)26-18-7-5-15(25-12(2)27)10-17(18)21(22,23)24/h4-8,10-11H,3,9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPNRYNABNALZAEB-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.15
Rot. Bonds5

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide (PubChem CID 16605098) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
PubChem CID16605098
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
SMILESCCc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1
InChIInChI=1S/C21H19F3N2O3/c1-3-13-4-6-16-14(11-29-19(16)8-13)9-20(28)26-18-7-5-15(25-12(2)27)10-17(18)21(22,23)24/h4-8,10-11H,3,9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyPNRYNABNALZAEB-UHFFFAOYSA-N
XLogP5.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 16605099
4-fluoro-N-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 55699425
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
N-[4-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782396
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
2-(6-ethyl-1-benzofuran-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 8851829
2-(6-ethyl-1-benzofuran-3-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9219883
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 18167476
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide
CID 42995905
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide (CID 16605098) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide is CCc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is PNRYNABNALZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-3-13-4-6-16-14(11-29-19(16)8-13)9-20(28)26-18-7-5-15(25-12(2)27)10-17(18)21(22,23)24/h4-8,10-11H,3,9H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 404.39 g/mol, XLogP of 5.15, 5 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-(6-ethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 16605098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).