5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide

C24H26BrNO4 — CID 21046193

About 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide

5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 21046193) has the molecular formula C24H26BrNO4 and a molecular weight of 472.38 g/mol. Its IUPAC name is 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide
• PubChem CID: 21046193
• Molecular Formula: C24H26BrNO4
• Molecular Weight: 472.38 g/mol
• Exact Mass: 471.10
• IUPAC Name: 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide
• SMILES: COc1cccc(OC)c1NC(=O)c1ccc(Cc2c(C)c(C)c(Br)c(C)c2C)o1
• InChI: InChI=1S/C24H26BrNO4/c1-13-15(3)22(25)16(4)14(2)18(13)12-17-10-11-21(30-17)24(27)26-23-19(28-5)8-7-9-20(23)29-6/h7-11H,12H2,1-6H3,(H,26,27)
• InChIKey: BCCPBFKTKHGGCX-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 60.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.38
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide?

The IUPAC name of 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide (CID 21046193) is 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide.

What is the SMILES notation for 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide?

The canonical SMILES for 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide is COc1cccc(OC)c1NC(=O)c1ccc(Cc2c(C)c(C)c(Br)c(C)c2C)o1.

What is the InChIKey of 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide?

The InChIKey is BCCPBFKTKHGGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrNO4/c1-13-15(3)22(25)16(4)14(2)18(13)12-17-10-11-21(30-17)24(27)26-23-19(28-5)8-7-9-20(23)29-6/h7-11H,12H2,1-6H3,(H,26,27).

What are the key properties of 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide?

5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 21046193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).