N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide

C22H26FNO2 — CID 23358488

IUPACN-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CCc1ccc(F)cc1)O2
InChIInChI=1S/C22H26FNO2/c1-13-14(2)21-19(15(3)20(13)24-16(4)25)12-22(5,26-21)11-10-17-6-8-18(23)9-7-17/h6-9H,10-12H2,1-5H3,(H,24,25)
InChIKeyXNBJKEPJYNQAAR-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.04
Rot. Bonds4

About N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide

N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide (PubChem CID 23358488) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
PubChem CID23358488
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC NameN-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide
SMILESCC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CCc1ccc(F)cc1)O2
InChIInChI=1S/C22H26FNO2/c1-13-14(2)21-19(15(3)20(13)24-16(4)25)12-22(5,26-21)11-10-17-6-8-18(23)9-7-17/h6-9H,10-12H2,1-5H3,(H,24,25)
InChIKeyXNBJKEPJYNQAAR-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide (CID 23358488) is N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide is CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(CCc1ccc(F)cc1)O2.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
The InChIKey is XNBJKEPJYNQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-13-14(2)21-19(15(3)20(13)24-16(4)25)12-22(5,26-21)11-10-17-6-8-18(23)9-7-17/h6-9H,10-12H2,1-5H3,(H,24,25).
What are the key properties of N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide?
N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide has a molecular weight of 355.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)ethyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-yl]acetamide is sourced from PubChem (CID 23358488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).