5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

C23H26ClFN2O3 — CID 52985399

About 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 52985399) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
• PubChem CID: 52985399
• Molecular Formula: C23H26ClFN2O3
• Molecular Weight: 432.92 g/mol
• Exact Mass: 432.16
• IUPAC Name: 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
• SMILES: COc1ccc(C(CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCC2)cc1.Cl
• InChI: InChI=1S/C23H25FN2O3.ClH/c1-15-19-13-17(24)7-10-21(19)29-22(15)23(27)25-14-20(26-11-3-4-12-26)16-5-8-18(28-2)9-6-16;/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,27);1H
• InChIKey: MVUBKTLFXPMETO-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.92
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?

The IUPAC name of 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 52985399) is 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

What is the SMILES notation for 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?

The canonical SMILES for 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is COc1ccc(C(CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCC2)cc1.Cl.

What is the InChIKey of 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?

The InChIKey is MVUBKTLFXPMETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3.ClH/c1-15-19-13-17(24)7-10-21(19)29-22(15)23(27)25-14-20(26-11-3-4-12-26)16-5-8-18(28-2)9-6-16;/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,27);1H.

What are the key properties of 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?

5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 432.92 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 52985399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).