(2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride

C24H34Cl4N4O2 — CID 24833568

About (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride

(2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride (PubChem CID 24833568) has the molecular formula C24H34Cl4N4O2 and a molecular weight of 552.37 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride.

Molecular Properties

• Compound Name: (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride
• PubChem CID: 24833568
• Molecular Formula: C24H34Cl4N4O2
• Molecular Weight: 552.37 g/mol
• Exact Mass: 550.14
• IUPAC Name: (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride
• SMILES: C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-]
• InChI: InChI=1S/C24H32Cl2N4O2.2ClH/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26;;/h5-12H,13-18H2,1-4H3;2*1H
• InChIKey: PJULDAJZAGFSGT-UHFFFAOYSA-N
• XLogP: -2.91
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.37
LogP ≤ 5	-2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride?

The IUPAC name of (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride (CID 24833568) is (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride.

What is the SMILES notation for (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride?

The canonical SMILES for (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride is C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-].

What is the InChIKey of (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride?

The InChIKey is PJULDAJZAGFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N4O2.2ClH/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26;;/h5-12H,13-18H2,1-4H3;2*1H.

What are the key properties of (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride?

(2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride has a molecular weight of 552.37 g/mol, XLogP of -2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)methyl-[2-[[2-[2-[(2-chlorophenyl)methyl-dimethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-dimethylazanium dichloride is sourced from PubChem (CID 24833568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).