2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide

C93H74Cl8FN15O8 — CID 157271164

About 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide (PubChem CID 157271164) has the molecular formula C93H74Cl8FN15O8 and a molecular weight of 1832.33 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide
• PubChem CID: 157271164
• Molecular Formula: C93H74Cl8FN15O8
• Molecular Weight: 1832.33 g/mol
• Exact Mass: 1827.33
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide
• SMILES: C/N=C(\C)c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
• InChI: InChI=1S/C24H20Cl2N4O2.C23H17Cl2FN4O2.C23H18Cl2N4O2.C23H19Cl2N3O2/c25-18-7-6-17(20(13-18)24(32)29-22-9-8-19(26)14-28-22)12-21(31)15-2-4-16(5-3-15)23(27)30-10-1-11-30;24-15-3-1-13(18(11-15)23(32)29-21-6-4-16(25)12-28-21)10-20(31)17-5-2-14(9-19(17)26)22(27)30-7-8-30;24-17-6-5-16(19(12-17)23(31)28-21-8-7-18(25)13-27-21)11-20(30)14-1-3-15(4-2-14)22(26)29-9-10-29;1-14(26-2)15-3-5-16(6-4-15)21(29)11-17-7-8-18(24)12-20(17)23(30)28-22-10-9-19(25)13-27-22/h2-9,13-14,27H,1,10-12H2,(H,28,29,32);1-6,9,11-12,27H,7-8,10H2,(H,28,29,32);1-8,12-13,26H,9-11H2,(H,27,28,31);3-10,12-13H,11H2,1-2H3,(H,27,28,30)/b27-23-;27-22-;26-22-;26-14+
• InChIKey: AYOCRNLEQFOBQP-KOFJGSEGSA-N
• XLogP: 20.16
• TPSA: 329.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1832.33
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide?

The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide (CID 157271164) is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide?

The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide is C/N=C(\C)c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.

What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide?

The InChIKey is AYOCRNLEQFOBQP-KOFJGSEGSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2.C23H17Cl2FN4O2.C23H18Cl2N4O2.C23H19Cl2N3O2/c25-18-7-6-17(20(13-18)24(32)29-22-9-8-19(26)14-28-22)12-21(31)15-2-4-16(5-3-15)23(27)30-10-1-11-30;24-15-3-1-13(18(11-15)23(32)29-21-6-4-16(25)12-28-21)10-20(31)17-5-2-14(9-19(17)26)22(27)30-7-8-30;24-17-6-5-16(19(12-17)23(31)28-21-8-7-18(25)13-27-21)11-20(30)14-1-3-15(4-2-14)22(26)29-9-10-29;1-14(26-2)15-3-5-16(6-4-15)21(29)11-17-7-8-18(24)12-20(17)23(30)28-22-10-9-19(25)13-27-22/h2-9,13-14,27H,1,10-12H2,(H,28,29,32);1-6,9,11-12,27H,7-8,10H2,(H,28,29,32);1-8,12-13,26H,9-11H2,(H,27,28,31);3-10,12-13H,11H2,1-2H3,(H,27,28,30)/b27-23-;27-22-;26-22-;26-14+.

What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide?

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 1832.33 g/mol, XLogP of 20.16, 24 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 157271164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).