N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide

C23H19N3O6 — CID 55616552

About N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55616552) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
• PubChem CID: 55616552
• Molecular Formula: C23H19N3O6
• Molecular Weight: 433.42 g/mol
• Exact Mass: 433.13
• IUPAC Name: N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
• SMILES: Cc1c(C(=O)NNC(=O)COc2cccc(NC(=O)c3ccco3)c2)oc2ccccc12
• InChI: InChI=1S/C23H19N3O6/c1-14-17-8-2-3-9-18(17)32-21(14)23(29)26-25-20(27)13-31-16-7-4-6-15(12-16)24-22(28)19-10-5-11-30-19/h2-12H,13H2,1H3,(H,24,28)(H,25,27)(H,26,29)
• InChIKey: CLNDJSXHQIPGOI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 122.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.42
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55616552) is N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide is Cc1c(C(=O)NNC(=O)COc2cccc(NC(=O)c3ccco3)c2)oc2ccccc12.

What is the InChIKey of N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The InChIKey is CLNDJSXHQIPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c1-14-17-8-2-3-9-18(17)32-21(14)23(29)26-25-20(27)13-31-16-7-4-6-15(12-16)24-22(28)19-10-5-11-30-19/h2-12H,13H2,1H3,(H,24,28)(H,25,27)(H,26,29).

What are the key properties of N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55616552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).