2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide

C73H59Cl4F6N11O9 — CID 157217905

About 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide (PubChem CID 157217905) has the molecular formula C73H59Cl4F6N11O9 and a molecular weight of 1490.14 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
• PubChem CID: 157217905
• Molecular Formula: C73H59Cl4F6N11O9
• Molecular Weight: 1490.14 g/mol
• Exact Mass: 1487.32
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide
• SMILES: C/N=C(\C)c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
• InChI: InChI=1S/C25H20ClF3N4O3.C24H20Cl2N4O3.C24H19ClF3N3O3/c26-18-7-9-22(31-14-18)32-24(35)20-13-19(36-25(27,28)29)8-6-17(20)12-21(34)15-2-4-16(5-3-15)23(30)33-10-1-11-33;1-33-21-11-17(26)10-19(24(32)29-22-7-6-16(25)13-28-22)18(21)12-20(31)14-2-4-15(5-3-14)23(27)30-8-9-30;1-14(29-2)15-3-5-16(6-4-15)21(32)11-17-7-9-19(34-24(26,27)28)12-20(17)23(33)31-22-10-8-18(25)13-30-22/h2-9,13-14,30H,1,10-12H2,(H,31,32,35);2-7,10-11,13,27H,8-9,12H2,1H3,(H,28,29,32);3-10,12-13H,11H2,1-2H3,(H,30,31,33)/b30-23-;27-23-;29-14+
• InChIKey: ASQDKJHUAFCFHB-LTQNDGCGSA-N
• XLogP: 15.81
• TPSA: 271.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.14
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?

The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide (CID 157217905) is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide.

What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?

The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide is C/N=C(\C)c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.

What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?

The InChIKey is ASQDKJHUAFCFHB-LTQNDGCGSA-N. The full InChI is InChI=1S/C25H20ClF3N4O3.C24H20Cl2N4O3.C24H19ClF3N3O3/c26-18-7-9-22(31-14-18)32-24(35)20-13-19(36-25(27,28)29)8-6-17(20)12-21(34)15-2-4-16(5-3-15)23(30)33-10-1-11-33;1-33-21-11-17(26)10-19(24(32)29-22-7-6-16(25)13-28-22)18(21)12-20(31)14-2-4-15(5-3-14)23(27)30-8-9-30;1-14(29-2)15-3-5-16(6-4-15)21(32)11-17-7-9-19(34-24(26,27)28)12-20(17)23(33)31-22-10-8-18(25)13-30-22/h2-9,13-14,30H,1,10-12H2,(H,31,32,35);2-7,10-11,13,27H,8-9,12H2,1H3,(H,28,29,32);3-10,12-13H,11H2,1-2H3,(H,30,31,33)/b30-23-;27-23-;29-14+.

What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide?

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide has a molecular weight of 1490.14 g/mol, XLogP of 15.81, 21 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-chloro-2-pyridinyl)-5-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)phenyl]-2-oxoethyl]-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 157217905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).