5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane

C70H66Br2Cl5N15O8 — CID 159186399

About 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane

5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane (PubChem CID 159186399) has the molecular formula C70H66Br2Cl5N15O8 and a molecular weight of 1582.47 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane.

Molecular Properties

• Compound Name: 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane
• PubChem CID: 159186399
• Molecular Formula: C70H66Br2Cl5N15O8
• Molecular Weight: 1582.47 g/mol
• Exact Mass: 1577.20
• IUPAC Name: 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane
• SMILES: C.C.C.CN1CCN=C1c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.NC(=NO)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
• InChI: InChI=1S/C24H21BrClN5O3.C23H18Cl3N5O2.C20H15BrClN5O3.3CH4/c25-17-5-7-20(19(13-17)24(33)30-21-8-6-18(26)14-28-21)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;1-31-9-8-27-21(31)13-2-4-14(5-3-13)22(32)30-20-17(10-16(25)11-18(20)26)23(33)29-19-7-6-15(24)12-28-19;21-13-5-7-16(15(9-13)20(29)26-17-8-6-14(22)10-24-17)25-19(28)12-3-1-11(2-4-12)18(23)27-30;;;/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-7,10-12H,8-9H2,1H3,(H,30,32)(H,28,29,33);1-10,30H,(H2,23,27)(H,25,28)(H,24,26,29);3*1H4/b27-22-
• InChIKey: KNNSZCPZLCSLOO-DKKGGWGOSA-N
• XLogP: 15.90
• TPSA: 323.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1582.47
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

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 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane?

The IUPAC name of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane (CID 159186399) is 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane.

What is the SMILES notation for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane?

The canonical SMILES for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane is C.C.C.CN1CCN=C1c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.NC(=NO)c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.

What is the InChIKey of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane?

The InChIKey is KNNSZCPZLCSLOO-DKKGGWGOSA-N. The full InChI is InChI=1S/C24H21BrClN5O3.C23H18Cl3N5O2.C20H15BrClN5O3.3CH4/c25-17-5-7-20(19(13-17)24(33)30-21-8-6-18(26)14-28-21)29-23(32)16-3-1-15(2-4-16)22(27)31-9-11-34-12-10-31;1-31-9-8-27-21(31)13-2-4-14(5-3-13)22(32)30-20-17(10-16(25)11-18(20)26)23(33)29-19-7-6-15(24)12-28-19;21-13-5-7-16(15(9-13)20(29)26-17-8-6-14(22)10-24-17)25-19(28)12-3-1-11(2-4-12)18(23)27-30;;;/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);2-7,10-12H,8-9H2,1H3,(H,30,32)(H,28,29,33);1-10,30H,(H2,23,27)(H,25,28)(H,24,26,29);3*1H4/b27-22-;;;;;.

What are the key properties of 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane?

5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane has a molecular weight of 1582.47 g/mol, XLogP of 15.90, 15 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide;3,5-dichloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;methane is sourced from PubChem (CID 159186399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).