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

C26H24FN3O — CID 92657719

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

2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 92657719) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
• PubChem CID: 92657719
• Molecular Formula: C26H24FN3O
• Molecular Weight: 413.50 g/mol
• Exact Mass: 413.19
• IUPAC Name: 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
• SMILES: Cc1ccc(CC(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C)c1
• InChI: InChI=1S/C26H24FN3O/c1-18-7-10-21(19(2)13-18)14-26(31)29-28-15-22-17-30(25-6-4-3-5-24(22)25)16-20-8-11-23(27)12-9-20/h3-13,15,17H,14,16H2,1-2H3,(H,29,31)/b28-15-
• InChIKey: AKTZXNSJWLMTAV-MBTHVWNTSA-N
• XLogP: 5.14
• 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	413.50
LogP ≤ 5	5.14
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 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?

The IUPAC name of 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 92657719) is 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

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

The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is Cc1ccc(CC(=O)N/N=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C)c1.

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

The InChIKey is AKTZXNSJWLMTAV-MBTHVWNTSA-N. The full InChI is InChI=1S/C26H24FN3O/c1-18-7-10-21(19(2)13-18)14-26(31)29-28-15-22-17-30(25-6-4-3-5-24(22)25)16-20-8-11-23(27)12-9-20/h3-13,15,17H,14,16H2,1-2H3,(H,29,31)/b28-15-.

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

2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 413.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 92657719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).