N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide

C23H16Cl4N4O4 — CID 126176882

About N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide

N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide (PubChem CID 126176882) has the molecular formula C23H16Cl4N4O4 and a molecular weight of 554.22 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

Molecular Properties

• Compound Name: N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
• PubChem CID: 126176882
• Molecular Formula: C23H16Cl4N4O4
• Molecular Weight: 554.22 g/mol
• Exact Mass: 551.99
• IUPAC Name: N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
• SMILES: O=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C23H16Cl4N4O4/c24-14-8-15(25)10-16(9-14)29-20(32)12-35-19-7-2-1-4-13(19)11-28-31-23(34)22(33)30-18-6-3-5-17(26)21(18)27/h1-11H,12H2,(H,29,32)(H,30,33)(H,31,34)/b28-11-
• InChIKey: WNRKYSIIKJLOML-FXMZOFOKSA-N
• XLogP: 5.41
• TPSA: 108.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.22
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
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'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The IUPAC name of N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide (CID 126176882) is N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

What is the SMILES notation for N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The canonical SMILES for N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide is O=C(COc1ccccc1/C=N\NC(=O)C(=O)Nc1cccc(Cl)c1Cl)Nc1cc(Cl)cc(Cl)c1.

What is the InChIKey of N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The InChIKey is WNRKYSIIKJLOML-FXMZOFOKSA-N. The full InChI is InChI=1S/C23H16Cl4N4O4/c24-14-8-15(25)10-16(9-14)29-20(32)12-35-19-7-2-1-4-13(19)11-28-31-23(34)22(33)30-18-6-3-5-17(26)21(18)27/h1-11H,12H2,(H,29,32)(H,30,33)(H,31,34)/b28-11-.

What are the key properties of N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide has a molecular weight of 554.22 g/mol, XLogP of 5.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-[2-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide is sourced from PubChem (CID 126176882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).