N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide

C85H64Br4F8N20O9 — CID 158042722

About N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide

N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide (PubChem CID 158042722) has the molecular formula C85H64Br4F8N20O9 and a molecular weight of 1981.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide
• PubChem CID: 158042722
• Molecular Formula: C85H64Br4F8N20O9
• Molecular Weight: 1981.18 g/mol
• Exact Mass: 1976.18
• IUPAC Name: N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.NC(=NO)c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(\N)c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1
• InChI: InChI=1S/C23H18BrF2N5O2.C22H18BrF2N5O2.C20H14BrF2N5O3.C20H14BrF2N5O2/c1-31-9-8-27-21(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;21-12-5-6-17(25-9-12)27-20(30)13-7-14(22)15(23)8-16(13)26-19(29)11-3-1-10(2-4-11)18(24)28-31;21-12-5-6-17(26-9-12)28-20(30)13-7-14(22)15(23)8-16(13)27-19(29)11-3-1-10(2-4-11)18(24)25/h2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32);1-9,31H,(H2,24,28)(H,26,29)(H,25,27,30);1-9H,(H3,24,25)(H,27,29)(H,26,28,30)/b;26-20-
• InChIKey: FINVDQVNEHXNDG-JISRZTMJSA-N
• XLogP: 16.47
• TPSA: 435.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.18
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide (CID 158042722) is N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide is CN1CCN=C1c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.NC(=NO)c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(\N)c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

The InChIKey is FINVDQVNEHXNDG-JISRZTMJSA-N. The full InChI is InChI=1S/C23H18BrF2N5O2.C22H18BrF2N5O2.C20H14BrF2N5O3.C20H14BrF2N5O2/c1-31-9-8-27-21(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;21-12-5-6-17(25-9-12)27-20(30)13-7-14(22)15(23)8-16(13)26-19(29)11-3-1-10(2-4-11)18(24)28-31;21-12-5-6-17(26-9-12)28-20(30)13-7-14(22)15(23)8-16(13)27-19(29)11-3-1-10(2-4-11)18(24)25/h2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32);1-9,31H,(H2,24,28)(H,26,29)(H,25,27,30);1-9H,(H3,24,25)(H,27,29)(H,26,28,30)/b;26-20-;;.

What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide?

N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide has a molecular weight of 1981.18 g/mol, XLogP of 16.47, 20 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-4,5-difluorobenzamide is sourced from PubChem (CID 158042722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).