5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C18H16BrNO3 — CID 3601277

IUPAC5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1
InChIInChI=1S/C18H16BrNO3/c1-3-22-14-7-5-13(6-8-14)20-18(21)17-11(2)15-10-12(19)4-9-16(15)23-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyNXPKUEPJVPSWIF-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.15
Rot. Bonds4

About 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 3601277) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID3601277
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1
InChIInChI=1S/C18H16BrNO3/c1-3-22-14-7-5-13(6-8-14)20-18(21)17-11(2)15-10-12(19)4-9-16(15)23-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyNXPKUEPJVPSWIF-UHFFFAOYSA-N
XLogP5.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.15
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
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
5-bromo-3-methyl-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 2469337
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
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
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 3601277) is 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1.
What is the InChIKey of 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NXPKUEPJVPSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-3-22-14-7-5-13(6-8-14)20-18(21)17-11(2)15-10-12(19)4-9-16(15)23-17/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3601277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).