N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide

C26H21ClN2O4 — CID 126395824

About N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126395824) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
• PubChem CID: 126395824
• Molecular Formula: C26H21ClN2O4
• Molecular Weight: 460.92 g/mol
• Exact Mass: 460.12
• IUPAC Name: N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(O)c1
• InChI: InChI=1S/C26H21ClN2O4/c1-32-20-11-12-22(24(30)14-20)26(31)29-28-15-23-21-5-3-2-4-18(21)8-13-25(23)33-16-17-6-9-19(27)10-7-17/h2-15,30H,16H2,1H3,(H,29,31)/b28-15-
• InChIKey: IVNBCQBTQLGVMY-MBTHVWNTSA-N
• XLogP: 5.55
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.92
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
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-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The IUPAC name of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126395824) is N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

What is the SMILES notation for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The canonical SMILES for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(O)c1.

What is the InChIKey of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

The InChIKey is IVNBCQBTQLGVMY-MBTHVWNTSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c1-32-20-11-12-22(24(30)14-20)26(31)29-28-15-23-21-5-3-2-4-18(21)8-13-25(23)33-16-17-6-9-19(27)10-7-17/h2-15,30H,16H2,1H3,(H,29,31)/b28-15-.

What are the key properties of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide?

N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 460.92 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126395824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).