6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride

C21H24BrClN2O3 — CID 146052711

About 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride

6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 146052711) has the molecular formula C21H24BrClN2O3 and a molecular weight of 467.79 g/mol. Its IUPAC name is 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
• PubChem CID: 146052711
• Molecular Formula: C21H24BrClN2O3
• Molecular Weight: 467.79 g/mol
• Exact Mass: 466.07
• IUPAC Name: 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
• SMILES: Cc1ccc(C(CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCCC2)o1.Cl
• InChI: InChI=1S/C21H23BrN2O3.ClH/c1-13-5-8-18(26-13)17(24-9-3-4-10-24)12-23-21(25)20-14(2)16-7-6-15(22)11-19(16)27-20;/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,23,25);1H
• InChIKey: WBMJPRYYEKSWNS-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.79
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?

The IUPAC name of 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 146052711) is 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride.

What is the SMILES notation for 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?

The canonical SMILES for 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2oc3cc(Br)ccc3c2C)N2CCCC2)o1.Cl.

What is the InChIKey of 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?

The InChIKey is WBMJPRYYEKSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3.ClH/c1-13-5-8-18(26-13)17(24-9-3-4-10-24)12-23-21(25)20-14(2)16-7-6-15(22)11-19(16)27-20;/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,23,25);1H.

What are the key properties of 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride?

6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 467.79 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).