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

C25H21Cl3N4O5 — CID 126164070

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

N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide (PubChem CID 126164070) has the molecular formula C25H21Cl3N4O5 and a molecular weight of 563.83 g/mol. Its IUPAC name is N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide.

Molecular Properties

• Compound Name: N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
• PubChem CID: 126164070
• Molecular Formula: C25H21Cl3N4O5
• Molecular Weight: 563.83 g/mol
• Exact Mass: 562.06
• IUPAC Name: N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
• SMILES: CCOc1ccccc1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl
• InChI: InChI=1S/C25H21Cl3N4O5/c1-2-36-21-9-4-3-7-18(21)31-24(34)25(35)32-29-13-15-12-16(26)10-11-20(15)37-14-22(33)30-19-8-5-6-17(27)23(19)28/h3-13H,2,14H2,1H3,(H,30,33)(H,31,34)(H,32,35)/b29-13-
• InChIKey: QHJYSKYPAUIIJY-DBFSUHOCSA-N
• XLogP: 5.15
• TPSA: 118.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.83
LogP ≤ 5	5.15
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)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?

The IUPAC name of N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide (CID 126164070) is N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide.

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

The canonical SMILES for N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)N/N=C\c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl.

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

The InChIKey is QHJYSKYPAUIIJY-DBFSUHOCSA-N. The full InChI is InChI=1S/C25H21Cl3N4O5/c1-2-36-21-9-4-3-7-18(21)31-24(34)25(35)32-29-13-15-12-16(26)10-11-20(15)37-14-22(33)30-19-8-5-6-17(27)23(19)28/h3-13H,2,14H2,1H3,(H,30,33)(H,31,34)(H,32,35)/b29-13-.

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

N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide has a molecular weight of 563.83 g/mol, XLogP of 5.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 126164070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).