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

C97H70Cl9F12N15O12 — CID 157312624

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

2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide (PubChem CID 157312624) has the molecular formula C97H70Cl9F12N15O12 and a molecular weight of 2184.77 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
• PubChem CID: 157312624
• Molecular Formula: C97H70Cl9F12N15O12
• Molecular Weight: 2184.77 g/mol
• Exact Mass: 2179.23
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
• SMILES: C/N=C(\C)c1ccc(C(=O)Cc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1
• InChI: InChI=1S/C25H18Cl2F4N4O3.C24H19Cl3N4O3.C24H16Cl2F4N4O3.C24H17Cl2F4N3O3/c26-14-3-5-22(33-12-14)34-24(37)18-9-15(27)10-21(38-25(29,30)31)17(18)11-20(36)16-4-2-13(8-19(16)28)23(32)35-6-1-7-35;1-34-21-10-15(26)9-18(24(33)30-22-5-3-14(25)12-29-22)17(21)11-20(32)16-4-2-13(8-19(16)27)23(28)31-6-7-31;25-13-2-4-21(32-11-13)33-23(36)17-8-14(26)9-20(37-24(28,29)30)16(17)10-19(35)15-3-1-12(7-18(15)27)22(31)34-5-6-34;1-12(31-2)13-3-5-16(19(27)7-13)20(34)10-17-18(8-15(26)9-21(17)36-24(28,29)30)23(35)33-22-6-4-14(25)11-32-22/h2-5,8-10,12,32H,1,6-7,11H2,(H,33,34,37);2-5,8-10,12,28H,6-7,11H2,1H3,(H,29,30,33);1-4,7-9,11,31H,5-6,10H2,(H,32,33,36);3-9,11H,10H2,1-2H3,(H,32,33,35)/b32-23-;28-23-;31-22-;31-12+
• InChIKey: BDFIDANULKYCLH-AZYZTCDHSA-N
• XLogP: 23.79
• TPSA: 366.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2184.77
LogP ≤ 5	23.79
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)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide?

The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide (CID 157312624) is 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide.

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

The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide is C/N=C(\C)c1ccc(C(=O)Cc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC(F)(F)F)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.

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

The InChIKey is BDFIDANULKYCLH-AZYZTCDHSA-N. The full InChI is InChI=1S/C25H18Cl2F4N4O3.C24H19Cl3N4O3.C24H16Cl2F4N4O3.C24H17Cl2F4N3O3/c26-14-3-5-22(33-12-14)34-24(37)18-9-15(27)10-21(38-25(29,30)31)17(18)11-20(36)16-4-2-13(8-19(16)28)23(32)35-6-1-7-35;1-34-21-10-15(26)9-18(24(33)30-22-5-3-14(25)12-29-22)17(21)11-20(32)16-4-2-13(8-19(16)27)23(28)31-6-7-31;25-13-2-4-21(32-11-13)33-23(36)17-8-14(26)9-20(37-24(28,29)30)16(17)10-19(35)15-3-1-12(7-18(15)27)22(31)34-5-6-34;1-12(31-2)13-3-5-16(19(27)7-13)20(34)10-17-18(8-15(26)9-21(17)36-24(28,29)30)23(35)33-22-6-4-14(25)11-32-22/h2-5,8-10,12,32H,1,6-7,11H2,(H,33,34,37);2-5,8-10,12,28H,6-7,11H2,1H3,(H,29,30,33);1-4,7-9,11,31H,5-6,10H2,(H,32,33,36);3-9,11H,10H2,1-2H3,(H,32,33,35)/b32-23-;28-23-;31-22-;31-12+.

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

2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide has a molecular weight of 2184.77 g/mol, XLogP of 23.79, 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)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-(trifluoromethoxy)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(C,N-dimethylcarbonimidoyl)-2-fluorophenyl]-2-oxoethyl]-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 157312624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).