2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

C96H89Cl4F4N15O4 — CID 157083823

About 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 157083823) has the molecular formula C96H89Cl4F4N15O4 and a molecular weight of 1734.67 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 157083823
• Molecular Formula: C96H89Cl4F4N15O4
• Molecular Weight: 1734.67 g/mol
• Exact Mass: 1731.59
• IUPAC Name: 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: CN1CCN=C1c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C26H26ClFN4O.2C24H22ClFN4O.C22H19ClFN3O/c27-21-11-13-24(30-17-21)31-26(33)23-16-22(28)12-10-19(23)7-4-18-5-8-20(9-6-18)25(29)32-14-2-1-3-15-32;1-30-13-12-27-23(30)18-6-3-16(4-7-18)2-5-17-8-10-20(26)14-21(17)24(31)29-22-11-9-19(25)15-28-22;25-19-9-11-22(28-15-19)29-24(31)21-14-20(26)10-8-17(21)5-2-16-3-6-18(7-4-16)23(27)30-12-1-13-30;1-14(25)16-5-2-15(3-6-16)4-7-17-8-10-19(24)12-20(17)22(28)27-21-11-9-18(23)13-26-21/h5-6,8-13,16-17,29H,1-4,7,14-15H2,(H,30,31,33);3-4,6-11,14-15H,2,5,12-13H2,1H3,(H,28,29,31);3-4,6-11,14-15,27H,1-2,5,12-13H2,(H,28,29,31);2-3,5-6,8-13,25H,4,7H2,1H3,(H,26,27,28)/b29-25-;;27-23-;25-14+
• InChIKey: ADVZTRPXJHUEGM-RZEXEESASA-N
• XLogP: 20.57
• TPSA: 261.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1734.67
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 157083823) is 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is CN1CCN=C1c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCC1.[H]/N=C(/c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(CCc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is ADVZTRPXJHUEGM-RZEXEESASA-N. The full InChI is InChI=1S/C26H26ClFN4O.2C24H22ClFN4O.C22H19ClFN3O/c27-21-11-13-24(30-17-21)31-26(33)23-16-22(28)12-10-19(23)7-4-18-5-8-20(9-6-18)25(29)32-14-2-1-3-15-32;1-30-13-12-27-23(30)18-6-3-16(4-7-18)2-5-17-8-10-20(26)14-21(17)24(31)29-22-11-9-19(25)15-28-22;25-19-9-11-22(28-15-19)29-24(31)21-14-20(26)10-8-17(21)5-2-16-3-6-18(7-4-16)23(27)30-12-1-13-30;1-14(25)16-5-2-15(3-6-16)4-7-17-8-10-19(24)12-20(17)22(28)27-21-11-9-18(23)13-26-21/h5-6,8-13,16-17,29H,1-4,7,14-15H2,(H,30,31,33);3-4,6-11,14-15H,2,5,12-13H2,1H3,(H,28,29,31);3-4,6-11,14-15,27H,1-2,5,12-13H2,(H,28,29,31);2-3,5-6,8-13,25H,4,7H2,1H3,(H,26,27,28)/b29-25-;;27-23-;25-14+.

What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide?

2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1734.67 g/mol, XLogP of 20.57, 24 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(azetidine-1-carboximidoyl)phenyl]ethyl]-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)ethyl]-5-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]ethyl]benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 157083823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).