2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C26H19FN4O5 — CID 6864888

About 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide

2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 6864888) has the molecular formula C26H19FN4O5 and a molecular weight of 486.46 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

• Compound Name: 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
• PubChem CID: 6864888
• Molecular Formula: C26H19FN4O5
• Molecular Weight: 486.46 g/mol
• Exact Mass: 486.13
• IUPAC Name: 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
• SMILES: Cc1c(-c2ccc(/C=N/NC(=O)c3ccccc3NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-]
• InChI: InChI=1S/C26H19FN4O5/c1-16-18(9-6-12-23(16)31(34)35)24-14-13-17(36-24)15-28-30-26(33)20-8-3-5-11-22(20)29-25(32)19-7-2-4-10-21(19)27/h2-15H,1H3,(H,29,32)(H,30,33)/b28-15+
• InChIKey: TTZOBWUJXFYOBQ-RWPZCVJISA-N
• XLogP: 5.32
• TPSA: 126.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.46
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?

The IUPAC name of 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 6864888) is 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?

The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is Cc1c(-c2ccc(/C=N/NC(=O)c3ccccc3NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-].

What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?

The InChIKey is TTZOBWUJXFYOBQ-RWPZCVJISA-N. The full InChI is InChI=1S/C26H19FN4O5/c1-16-18(9-6-12-23(16)31(34)35)24-14-13-17(36-24)15-28-30-26(33)20-8-3-5-11-22(20)29-25(32)19-7-2-4-10-21(19)27/h2-15H,1H3,(H,29,32)(H,30,33)/b28-15+.

What are the key properties of 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide?

2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 486.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-fluorobenzoyl)amino]-N-[(E)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 6864888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).