N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide

C23H19Cl3N2O4 — CID 21380003

About N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide

N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 21380003) has the molecular formula C23H19Cl3N2O4 and a molecular weight of 493.77 g/mol. Its IUPAC name is N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
• PubChem CID: 21380003
• Molecular Formula: C23H19Cl3N2O4
• Molecular Weight: 493.77 g/mol
• Exact Mass: 492.04
• IUPAC Name: N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
• SMILES: COc1cc(/C=N/NC(=O)C(O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C23H19Cl3N2O4/c1-31-20-10-14(12-27-28-23(30)21(29)15-5-3-2-4-6-15)9-19(26)22(20)32-13-16-7-8-17(24)11-18(16)25/h2-12,21,29H,13H2,1H3,(H,28,30)/b27-12+
• InChIKey: XOKGQBODWSCUJV-KKMKTNMSSA-N
• XLogP: 5.42
• TPSA: 80.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.77
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

The IUPAC name of N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide (CID 21380003) is N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide.

What is the SMILES notation for N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

The canonical SMILES for N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is COc1cc(/C=N/NC(=O)C(O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

The InChIKey is XOKGQBODWSCUJV-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H19Cl3N2O4/c1-31-20-10-14(12-27-28-23(30)21(29)15-5-3-2-4-6-15)9-19(26)22(20)32-13-16-7-8-17(24)11-18(16)25/h2-12,21,29H,13H2,1H3,(H,28,30)/b27-12+.

What are the key properties of N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide?

N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 493.77 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 21380003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).