N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide

C25H22Cl2N4O4 — CID 126265333

About N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide

N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide (PubChem CID 126265333) has the molecular formula C25H22Cl2N4O4 and a molecular weight of 513.38 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide.

Molecular Properties

• Compound Name: N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
• PubChem CID: 126265333
• Molecular Formula: C25H22Cl2N4O4
• Molecular Weight: 513.38 g/mol
• Exact Mass: 512.10
• IUPAC Name: N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
• SMILES: CCc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C25H22Cl2N4O4/c1-2-17-5-3-4-6-21(17)30-24(33)25(34)31-28-14-16-7-10-19(11-8-16)35-15-23(32)29-22-12-9-18(26)13-20(22)27/h3-14H,2,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-14-
• InChIKey: XUVHGXPLWQSBSU-MUXKCCDJSA-N
• XLogP: 4.66
• TPSA: 108.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.38
LogP ≤ 5	4.66
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-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide?

The IUPAC name of N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide (CID 126265333) is N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide.

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

The canonical SMILES for N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1.

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

The InChIKey is XUVHGXPLWQSBSU-MUXKCCDJSA-N. The full InChI is InChI=1S/C25H22Cl2N4O4/c1-2-17-5-3-4-6-21(17)30-24(33)25(34)31-28-14-16-7-10-19(11-8-16)35-15-23(32)29-22-12-9-18(26)13-20(22)27/h3-14H,2,15H2,1H3,(H,29,32)(H,30,33)(H,31,34)/b28-14-.

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

N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide has a molecular weight of 513.38 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide is sourced from PubChem (CID 126265333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).