N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide

C94H78Cl4F8N20O8 — CID 158243657

About N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide

N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide (PubChem CID 158243657) has the molecular formula C94H78Cl4F8N20O8 and a molecular weight of 1909.59 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide
• PubChem CID: 158243657
• Molecular Formula: C94H78Cl4F8N20O8
• Molecular Weight: 1909.59 g/mol
• Exact Mass: 1906.49
• IUPAC Name: N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
• InChI: InChI=1S/C25H22ClF2N5O2.C24H20ClF2N5O2.C23H18ClF2N5O2.C22H18ClF2N5O2/c26-17-8-9-22(30-14-17)32-25(35)18-12-19(27)20(28)13-21(18)31-24(34)16-6-4-15(5-7-16)23(29)33-10-2-1-3-11-33;25-16-7-8-21(29-13-16)31-24(34)17-11-18(26)19(27)12-20(17)30-23(33)15-5-3-14(4-6-15)22(28)32-9-1-2-10-32;1-31-9-8-27-21(31)13-2-4-14(5-3-13)22(32)29-19-11-18(26)17(25)10-16(19)23(33)30-20-7-6-15(24)12-28-20;1-30(2)20(26)12-3-5-13(6-4-12)21(31)28-18-10-17(25)16(24)9-15(18)22(32)29-19-8-7-14(23)11-27-19/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34);2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32)/b29-23-;28-22-;;26-20-
• InChIKey: GFVZLQXQFWOWKK-MHGGJWTASA-N
• XLogP: 18.88
• TPSA: 381.23 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1909.59
LogP ≤ 5	18.88
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

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 N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

The IUPAC name of N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide (CID 158243657) is N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide.

What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

The canonical SMILES for N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide is CN1CCN=C1c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.

What is the InChIKey of N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

The InChIKey is GFVZLQXQFWOWKK-MHGGJWTASA-N. The full InChI is InChI=1S/C25H22ClF2N5O2.C24H20ClF2N5O2.C23H18ClF2N5O2.C22H18ClF2N5O2/c26-17-8-9-22(30-14-17)32-25(35)18-12-19(27)20(28)13-21(18)31-24(34)16-6-4-15(5-7-16)23(29)33-10-2-1-3-11-33;25-16-7-8-21(29-13-16)31-24(34)17-11-18(26)19(27)12-20(17)30-23(33)15-5-3-14(4-6-15)22(28)32-9-1-2-10-32;1-31-9-8-27-21(31)13-2-4-14(5-3-13)22(32)29-19-11-18(26)17(25)10-16(19)23(33)30-20-7-6-15(24)12-28-20;1-30(2)20(26)12-3-5-13(6-4-12)21(31)28-18-10-17(25)16(24)9-15(18)22(32)29-19-8-7-14(23)11-27-19/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34);2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32)/b29-23-;28-22-;;26-20-.

What are the key properties of N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide has a molecular weight of 1909.59 g/mol, XLogP of 18.88, 20 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-4,5-difluoro-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide is sourced from PubChem (CID 158243657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).