N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C18H16ClNO3 — CID 9073189

IUPACN-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c2c1
InChIInChI=1S/C18H16ClNO3/c1-3-22-14-8-9-16-15(10-14)11(2)17(23-16)18(21)20-13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyZOLZJDKJIRDYPV-UHFFFAOYSA-N
MW329.78 g/mol
LogP5.05
Rot. Bonds4

About N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9073189) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9073189
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c2c1
InChIInChI=1S/C18H16ClNO3/c1-3-22-14-8-9-16-15(10-14)11(2)17(23-16)18(21)20-13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyZOLZJDKJIRDYPV-UHFFFAOYSA-N
XLogP5.05
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.78
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2412037
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 9073189) is N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZOLZJDKJIRDYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-3-22-14-8-9-16-15(10-14)11(2)17(23-16)18(21)20-13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 329.78 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9073189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).