N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide

C24H18Cl2N2O4 — CID 124541267

About N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 124541267) has the molecular formula C24H18Cl2N2O4 and a molecular weight of 469.32 g/mol. Its IUPAC name is N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide
• PubChem CID: 124541267
• Molecular Formula: C24H18Cl2N2O4
• Molecular Weight: 469.32 g/mol
• Exact Mass: 468.06
• IUPAC Name: N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide
• SMILES: COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H18Cl2N2O4/c1-30-22-10-15(6-9-21(22)31-14-17-7-8-18(25)12-19(17)26)13-27-28-24(29)23-11-16-4-2-3-5-20(16)32-23/h2-13H,14H2,1H3,(H,28,29)/b27-13+
• InChIKey: HANXCYKXMAOOQW-UVHMKAGCSA-N
• XLogP: 6.09
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.32
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide (CID 124541267) is N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide is COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide?

The InChIKey is HANXCYKXMAOOQW-UVHMKAGCSA-N. The full InChI is InChI=1S/C24H18Cl2N2O4/c1-30-22-10-15(6-9-21(22)31-14-17-7-8-18(25)12-19(17)26)13-27-28-24(29)23-11-16-4-2-3-5-20(16)32-23/h2-13H,14H2,1H3,(H,28,29)/b27-13+.

What are the key properties of N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide?

N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 469.32 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124541267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).