5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride

C23H28Cl2N2O3 — CID 146052731

About 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride

5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 146052731) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
• PubChem CID: 146052731
• Molecular Formula: C23H28Cl2N2O3
• Molecular Weight: 451.39 g/mol
• Exact Mass: 450.15
• IUPAC Name: 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
• SMILES: Cc1ccc(C(CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCC(C)CC2)o1.Cl
• InChI: InChI=1S/C23H27ClN2O3.ClH/c1-14-8-10-26(11-9-14)19(21-6-4-15(2)28-21)13-25-23(27)22-16(3)18-12-17(24)5-7-20(18)29-22;/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,25,27);1H
• InChIKey: RPKOLHWXFGNFOC-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.39
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?

The IUPAC name of 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride (CID 146052731) is 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?

The canonical SMILES for 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride is Cc1ccc(C(CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCC(C)CC2)o1.Cl.

What is the InChIKey of 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?

The InChIKey is RPKOLHWXFGNFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3.ClH/c1-14-8-10-26(11-9-14)19(21-6-4-15(2)28-21)13-25-23(27)22-16(3)18-12-17(24)5-7-20(18)29-22;/h4-7,12,14,19H,8-11,13H2,1-3H3,(H,25,27);1H.

What are the key properties of 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride?

5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 451.39 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 146052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).