N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide

C24H19Cl3N4O4 — CID 126157140

About N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide

N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide (PubChem CID 126157140) has the molecular formula C24H19Cl3N4O4 and a molecular weight of 533.80 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

Molecular Properties

• Compound Name: N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
• PubChem CID: 126157140
• Molecular Formula: C24H19Cl3N4O4
• Molecular Weight: 533.80 g/mol
• Exact Mass: 532.05
• IUPAC Name: N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1
• InChI: InChI=1S/C24H19Cl3N4O4/c1-14-5-8-16(25)11-20(14)29-21(32)13-35-17-9-6-15(7-10-17)12-28-31-24(34)23(33)30-19-4-2-3-18(26)22(19)27/h2-12H,13H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-12-
• InChIKey: FEQOETPJMBTGQI-NVJOKUIPSA-N
• XLogP: 5.06
• 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	533.80
LogP ≤ 5	5.06
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)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The IUPAC name of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide (CID 126157140) is N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

What is the SMILES notation for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The canonical SMILES for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide is Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1.

What is the InChIKey of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The InChIKey is FEQOETPJMBTGQI-NVJOKUIPSA-N. The full InChI is InChI=1S/C24H19Cl3N4O4/c1-14-5-8-16(25)11-20(14)29-21(32)13-35-17-9-6-15(7-10-17)12-28-31-24(34)23(33)30-19-4-2-3-18(26)22(19)27/h2-12H,13H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-12-.

What are the key properties of N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide has a molecular weight of 533.80 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide is sourced from PubChem (CID 126157140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).