N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide

C23H17Cl4N3O4 — CID 124540731

About N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide

N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide (PubChem CID 124540731) has the molecular formula C23H17Cl4N3O4 and a molecular weight of 541.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
• PubChem CID: 124540731
• Molecular Formula: C23H17Cl4N3O4
• Molecular Weight: 541.22 g/mol
• Exact Mass: 539.00
• IUPAC Name: N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
• SMILES: COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C23H17Cl4N3O4/c1-33-20-10-13(8-9-19(20)34-12-14-15(24)4-2-5-16(14)25)11-28-30-23(32)22(31)29-18-7-3-6-17(26)21(18)27/h2-11H,12H2,1H3,(H,29,31)(H,30,32)/b28-11-
• InChIKey: YEGHVFYCNLHIOO-FXMZOFOKSA-N
• XLogP: 5.98
• TPSA: 89.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.22
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide?

The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide (CID 124540731) is N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide.

What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide?

The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide is COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1c(Cl)cccc1Cl.

What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide?

The InChIKey is YEGHVFYCNLHIOO-FXMZOFOKSA-N. The full InChI is InChI=1S/C23H17Cl4N3O4/c1-33-20-10-13(8-9-19(20)34-12-14-15(24)4-2-5-16(14)25)11-28-30-23(32)22(31)29-18-7-3-6-17(26)21(18)27/h2-11H,12H2,1H3,(H,29,31)(H,30,32)/b28-11-.

What are the key properties of N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide?

N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide has a molecular weight of 541.22 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide is sourced from PubChem (CID 124540731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).