N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide

C23H18Cl3N3O4 — CID 3611008

About N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide

N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide (PubChem CID 3611008) has the molecular formula C23H18Cl3N3O4 and a molecular weight of 506.77 g/mol. Its IUPAC name is N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide.

Molecular Properties

• Compound Name: N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
• PubChem CID: 3611008
• Molecular Formula: C23H18Cl3N3O4
• Molecular Weight: 506.77 g/mol
• Exact Mass: 505.04
• IUPAC Name: N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
• SMILES: COc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl
• InChI: InChI=1S/C23H18Cl3N3O4/c1-32-21-8-14(6-7-20(21)33-13-15-4-2-3-5-19(15)26)12-27-29-23(31)22(30)28-18-10-16(24)9-17(25)11-18/h2-12H,13H2,1H3,(H,28,30)(H,29,31)
• InChIKey: VUEYYVBKSWLQMX-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 89.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.77
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
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'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide?

The IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide (CID 3611008) is N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide.

What is the SMILES notation for N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide?

The canonical SMILES for N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide is COc1cc(C=NNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl.

What is the InChIKey of N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide?

The InChIKey is VUEYYVBKSWLQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O4/c1-32-21-8-14(6-7-20(21)33-13-15-4-2-3-5-19(15)26)12-27-29-23(31)22(30)28-18-10-16(24)9-17(25)11-18/h2-12H,13H2,1H3,(H,28,30)(H,29,31).

What are the key properties of N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide?

N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide has a molecular weight of 506.77 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide is sourced from PubChem (CID 3611008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).