N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C26H24ClN3O — CID 133143817

About N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133143817) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
• PubChem CID: 133143817
• Molecular Formula: C26H24ClN3O
• Molecular Weight: 429.95 g/mol
• Exact Mass: 429.16
• IUPAC Name: N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1
• InChI: InChI=1S/C26H24ClN3O/c1-18-11-12-20(19(2)13-18)14-26(31)29-28-15-22-17-30(25-10-6-4-8-23(22)25)16-21-7-3-5-9-24(21)27/h3-13,15,17H,14,16H2,1-2H3,(H,29,31)/b28-15+
• InChIKey: NJGLKVUHMXBOCX-RWPZCVJISA-N
• XLogP: 5.65
• TPSA: 46.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.95
LogP ≤ 5	5.65
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)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The IUPAC name of N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133143817) is N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

What is the SMILES notation for N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The canonical SMILES for N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(C)c1.

What is the InChIKey of N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

The InChIKey is NJGLKVUHMXBOCX-RWPZCVJISA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-18-11-12-20(19(2)13-18)14-26(31)29-28-15-22-17-30(25-10-6-4-8-23(22)25)16-21-7-3-5-9-24(21)27/h3-13,15,17H,14,16H2,1-2H3,(H,29,31)/b28-15+.

What are the key properties of N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?

N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 429.95 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133143817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).