5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide

C25H25BrN2O4 — CID 19243842

About 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide

5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 19243842) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
• PubChem CID: 19243842
• Molecular Formula: C25H25BrN2O4
• Molecular Weight: 497.39 g/mol
• Exact Mass: 496.10
• IUPAC Name: 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(N3CCCCC3)o2)oc2ccc(Br)cc12
• InChI: InChI=1S/C25H25BrN2O4/c1-17-21-14-18(26)7-9-22(21)32-24(17)25(29)28(15-19-6-5-13-30-19)16-20-8-10-23(31-20)27-11-3-2-4-12-27/h5-10,13-14H,2-4,11-12,15-16H2,1H3
• InChIKey: BRIQILRHWVGKCW-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 62.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.39
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 19243842) is 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(N3CCCCC3)o2)oc2ccc(Br)cc12.

What is the InChIKey of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?

The InChIKey is BRIQILRHWVGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c1-17-21-14-18(26)7-9-22(21)32-24(17)25(29)28(15-19-6-5-13-30-19)16-20-8-10-23(31-20)27-11-3-2-4-12-27/h5-10,13-14H,2-4,11-12,15-16H2,1H3.

What are the key properties of 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide?

5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 497.39 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(furan-2-ylmethyl)-3-methyl-N-[(5-piperidin-1-ylfuran-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19243842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).