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

C24H18Cl3N3O — CID 126149478

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

2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 126149478) has the molecular formula C24H18Cl3N3O and a molecular weight of 470.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
• PubChem CID: 126149478
• Molecular Formula: C24H18Cl3N3O
• Molecular Weight: 470.79 g/mol
• Exact Mass: 469.05
• IUPAC Name: 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
• InChI: InChI=1S/C24H18Cl3N3O/c25-19-8-5-16(6-9-19)11-24(31)29-28-13-18-15-30(23-4-2-1-3-21(18)23)14-17-7-10-20(26)12-22(17)27/h1-10,12-13,15H,11,14H2,(H,29,31)/b28-13-
• InChIKey: VTLDQTCFIKRZDK-QDTIIGTASA-N
• XLogP: 6.34
• 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	470.79
LogP ≤ 5	6.34
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-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 126149478) is 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

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

The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is O=C(Cc1ccc(Cl)cc1)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.

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

The InChIKey is VTLDQTCFIKRZDK-QDTIIGTASA-N. The full InChI is InChI=1S/C24H18Cl3N3O/c25-19-8-5-16(6-9-19)11-24(31)29-28-13-18-15-30(23-4-2-1-3-21(18)23)14-17-7-10-20(26)12-22(17)27/h1-10,12-13,15H,11,14H2,(H,29,31)/b28-13-.

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

2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 470.79 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 126149478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).