2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide

C20H22ClNO4 — CID 110161411

About 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide

2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide (PubChem CID 110161411) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
• PubChem CID: 110161411
• Molecular Formula: C20H22ClNO4
• Molecular Weight: 375.85 g/mol
• Exact Mass: 375.12
• IUPAC Name: 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
• SMILES: COc1cc(C(=O)NCCO)cc2c1OC(C)(Cc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C20H22ClNO4/c1-20(11-13-3-5-16(21)6-4-13)12-15-9-14(19(24)22-7-8-23)10-17(25-2)18(15)26-20/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,22,24)
• InChIKey: WNUDFPGHQAQZJB-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.85
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide (CID 110161411) is 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide.

What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide is COc1cc(C(=O)NCCO)cc2c1OC(C)(Cc1ccc(Cl)cc1)C2.

What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

The InChIKey is WNUDFPGHQAQZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-20(11-13-3-5-16(21)6-4-13)12-15-9-14(19(24)22-7-8-23)10-17(25-2)18(15)26-20/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,22,24).

What are the key properties of 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 375.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 110161411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).