N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C24H22Cl2N2O2 — CID 99944528

About N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 99944528) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
• PubChem CID: 99944528
• Molecular Formula: C24H22Cl2N2O2
• Molecular Weight: 441.36 g/mol
• Exact Mass: 440.11
• IUPAC Name: N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1
• InChI: InChI=1S/C24H22Cl2N2O2/c1-16-7-8-18(17(2)11-16)12-24(29)28-27-14-19-5-3-4-6-23(19)30-15-20-9-10-21(25)13-22(20)26/h3-11,13-14H,12,15H2,1-2H3,(H,28,29)/b27-14+
• InChIKey: OYOAGUOVHYOVBZ-MZJWZYIUSA-N
• XLogP: 5.88
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.36
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The IUPAC name of N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 99944528) is N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1.

What is the InChIKey of N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The InChIKey is OYOAGUOVHYOVBZ-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-16-7-8-18(17(2)11-16)12-24(29)28-27-14-19-5-3-4-6-23(19)30-15-20-9-10-21(25)13-22(20)26/h3-11,13-14H,12,15H2,1-2H3,(H,28,29)/b27-14+.

What are the key properties of N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 441.36 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 99944528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).