4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide

C29H24Cl2N2O4 — CID 124541270

About 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide

4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 124541270) has the molecular formula C29H24Cl2N2O4 and a molecular weight of 535.43 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

• Compound Name: 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
• PubChem CID: 124541270
• Molecular Formula: C29H24Cl2N2O4
• Molecular Weight: 535.43 g/mol
• Exact Mass: 534.11
• IUPAC Name: 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
• SMILES: COc1cccc(COc2ccccc2/C=N\NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1
• InChI: InChI=1S/C29H24Cl2N2O4/c1-35-26-7-4-5-20(15-26)18-37-28-8-3-2-6-22(28)17-32-33-29(34)21-10-13-25(14-11-21)36-19-23-9-12-24(30)16-27(23)31/h2-17H,18-19H2,1H3,(H,33,34)/b32-17-
• InChIKey: JCWRQZHCPKFCBF-KYHGBAKBSA-N
• XLogP: 6.92
• TPSA: 69.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.43
LogP ≤ 5	6.92
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 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide?

The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide (CID 124541270) is 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide.

What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide?

The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide is COc1cccc(COc2ccccc2/C=N\NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1.

What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide?

The InChIKey is JCWRQZHCPKFCBF-KYHGBAKBSA-N. The full InChI is InChI=1S/C29H24Cl2N2O4/c1-35-26-7-4-5-20(15-26)18-37-28-8-3-2-6-22(28)17-32-33-29(34)21-10-13-25(14-11-21)36-19-23-9-12-24(30)16-27(23)31/h2-17H,18-19H2,1H3,(H,33,34)/b32-17-.

What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide?

4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 535.43 g/mol, XLogP of 6.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 124541270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).