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

C24H18Cl4N4O5 — CID 126172100

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

N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide (PubChem CID 126172100) has the molecular formula C24H18Cl4N4O5 and a molecular weight of 584.24 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

Molecular Properties

• Compound Name: N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
• PubChem CID: 126172100
• Molecular Formula: C24H18Cl4N4O5
• Molecular Weight: 584.24 g/mol
• Exact Mass: 582.00
• IUPAC Name: N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
• SMILES: COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H18Cl4N4O5/c1-36-20-9-13(11-29-32-24(35)23(34)31-18-4-2-3-16(26)22(18)28)5-8-19(20)37-12-21(33)30-14-6-7-15(25)17(27)10-14/h2-11H,12H2,1H3,(H,30,33)(H,31,34)(H,32,35)/b29-11-
• InChIKey: AJDMGIYKAVORSX-KYMQWJLESA-N
• XLogP: 5.42
• TPSA: 118.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.24
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide?

The IUPAC name of N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide (CID 126172100) is N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide.

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

The canonical SMILES for N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide is COc1cc(/C=N\NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1.

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

The InChIKey is AJDMGIYKAVORSX-KYMQWJLESA-N. The full InChI is InChI=1S/C24H18Cl4N4O5/c1-36-20-9-13(11-29-32-24(35)23(34)31-18-4-2-3-16(26)22(18)28)5-8-19(20)37-12-21(33)30-14-6-7-15(25)17(27)10-14/h2-11H,12H2,1H3,(H,30,33)(H,31,34)(H,32,35)/b29-11-.

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

N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide has a molecular weight of 584.24 g/mol, XLogP of 5.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide is sourced from PubChem (CID 126172100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).