5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C23H27ClN2O3 — CID 55886623

About 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 55886623) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 55886623
• Molecular Formula: C23H27ClN2O3
• Molecular Weight: 414.93 g/mol
• Exact Mass: 414.17
• IUPAC Name: 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: COc1ccccc1C(CNC(=O)C1Cc2cc(Cl)ccc2O1)N1CCCCC1
• InChI: InChI=1S/C23H27ClN2O3/c1-28-21-8-4-3-7-18(21)19(26-11-5-2-6-12-26)15-25-23(27)22-14-16-13-17(24)9-10-20(16)29-22/h3-4,7-10,13,19,22H,2,5-6,11-12,14-15H2,1H3,(H,25,27)
• InChIKey: KPKFBTVHRCNTMF-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.93
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 55886623) is 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccccc1C(CNC(=O)C1Cc2cc(Cl)ccc2O1)N1CCCCC1.

What is the InChIKey of 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is KPKFBTVHRCNTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-28-21-8-4-3-7-18(21)19(26-11-5-2-6-12-26)15-25-23(27)22-14-16-13-17(24)9-10-20(16)29-22/h3-4,7-10,13,19,22H,2,5-6,11-12,14-15H2,1H3,(H,25,27).

What are the key properties of 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?

5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 414.93 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55886623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).