5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

C20H20FNO3 — CID 9080704

IUPAC5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCCc3ccc(F)cc3)c(C)c2c1
InChIInChI=1S/C20H20FNO3/c1-3-24-16-8-9-18-17(12-16)13(2)19(25-18)20(23)22-11-10-14-4-6-15(21)7-5-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyBXDFOCRNPPKJSG-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.25
Rot. Bonds6

About 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide

5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9080704) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9080704
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCCc3ccc(F)cc3)c(C)c2c1
InChIInChI=1S/C20H20FNO3/c1-3-24-16-8-9-18-17(12-16)13(2)19(25-18)20(23)22-11-10-14-4-6-15(21)7-5-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyBXDFOCRNPPKJSG-UHFFFAOYSA-N
XLogP4.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55897249
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2412037
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55903792
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-[2-(cyclohexen-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
(4-fluorophenyl) 5-ethyl-3-methyl-1-benzofuran-2-carboxylate
CID 2964614
5-ethoxy-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8589120

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 9080704) is 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NCCc3ccc(F)cc3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BXDFOCRNPPKJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-3-24-16-8-9-18-17(12-16)13(2)19(25-18)20(23)22-11-10-14-4-6-15(21)7-5-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,23).
What are the key properties of 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide?
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9080704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).