2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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

C98H81Cl6F6N15O12 — CID 159508526

About 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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 159508526) has the molecular formula C98H81Cl6F6N15O12 and a molecular weight of 1987.52 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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: 159508526
• Molecular Formula: C98H81Cl6F6N15O12
• Molecular Weight: 1987.52 g/mol
• Exact Mass: 1983.42
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(OC(F)(F)F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1
• InChI: InChI=1S/C25H22Cl2N4O3.C25H20ClF3N4O3.C24H20Cl2N4O3.C24H19ClF3N3O3/c1-34-22-12-18(27)11-20(25(33)30-23-8-7-17(26)14-29-23)19(22)13-21(32)15-3-5-16(6-4-15)24(28)31-9-2-10-31;26-18-7-9-22(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/h3-8,11-12,14,28H,2,9-10,13H2,1H3,(H,29,30,33);2-9,13-14,30H,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)/b28-24-;30-23-;27-23-;29-14+
• InChIKey: MAHOFAZIUJNIQN-WMRKCDPWSA-N
• XLogP: 20.91
• TPSA: 366.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.52
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

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)-3-methoxybenzamide;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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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 159508526) is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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 MAHOFAZIUJNIQN-WMRKCDPWSA-N. The full InChI is InChI=1S/C25H22Cl2N4O3.C25H20ClF3N4O3.C24H20Cl2N4O3.C24H19ClF3N3O3/c1-34-22-12-18(27)11-20(25(33)30-23-8-7-17(26)14-29-23)19(22)13-21(32)15-3-5-16(6-4-15)24(28)31-9-2-10-31;26-18-7-9-22(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/h3-8,11-12,14,28H,2,9-10,13H2,1H3,(H,29,30,33);2-9,13-14,30H,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)/b28-24-;30-23-;27-23-;29-14+.

What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;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 1987.52 g/mol, XLogP of 20.91, 28 rotatable bonds, 7 hydrogen bond donors, and 20 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)-3-methoxybenzamide;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 159508526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).