5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

C101H91Cl8N15O12 — CID 159212690

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (PubChem CID 159212690) has the molecular formula C101H91Cl8N15O12 and a molecular weight of 1990.56 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• PubChem CID: 159212690
• Molecular Formula: C101H91Cl8N15O12
• Molecular Weight: 1990.56 g/mol
• Exact Mass: 1985.45
• IUPAC Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
• SMILES: COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C27H26Cl2N4O3.C26H24Cl2N4O3.C25H22Cl2N4O3.C23H19Cl2N3O3/c1-36-24-14-20(29)13-22(27(35)32-25-10-9-19(28)16-31-25)21(24)15-23(34)17-5-7-18(8-6-17)26(30)33-11-3-2-4-12-33;1-35-23-13-19(28)12-21(26(34)31-24-9-8-18(27)15-30-24)20(23)14-22(33)16-4-6-17(7-5-16)25(29)32-10-2-3-11-32;1-31-10-9-28-24(31)16-5-3-15(4-6-16)21(32)13-19-20(11-18(27)12-22(19)34-2)25(33)30-23-8-7-17(26)14-29-23;1-13(26)14-3-5-15(6-4-14)20(29)11-18-19(9-17(25)10-21(18)31-2)23(30)28-22-8-7-16(24)12-27-22/h5-10,13-14,16,30H,2-4,11-12,15H2,1H3,(H,31,32,35);4-9,12-13,15,29H,2-3,10-11,14H2,1H3,(H,30,31,34);3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33);3-10,12,26H,11H2,1-2H3,(H,27,28,30)/b30-26-;29-25-;;26-13+
• InChIKey: KQRRYKBIZZJXNW-WOYNAHADSA-N
• XLogP: 21.61
• TPSA: 366.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.56
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide (CID 159212690) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide.

What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

The InChIKey is KQRRYKBIZZJXNW-WOYNAHADSA-N. The full InChI is InChI=1S/C27H26Cl2N4O3.C26H24Cl2N4O3.C25H22Cl2N4O3.C23H19Cl2N3O3/c1-36-24-14-20(29)13-22(27(35)32-25-10-9-19(28)16-31-25)21(24)15-23(34)17-5-7-18(8-6-17)26(30)33-11-3-2-4-12-33;1-35-23-13-19(28)12-21(26(34)31-24-9-8-18(27)15-30-24)20(23)14-22(33)16-4-6-17(7-5-16)25(29)32-10-2-3-11-32;1-31-10-9-28-24(31)16-5-3-15(4-6-16)21(32)13-19-20(11-18(27)12-22(19)34-2)25(33)30-23-8-7-17(26)14-29-23;1-13(26)14-3-5-15(6-4-14)20(29)11-18-19(9-17(25)10-21(18)31-2)23(30)28-22-8-7-16(24)12-27-22/h5-10,13-14,16,30H,2-4,11-12,15H2,1H3,(H,31,32,35);4-9,12-13,15,29H,2-3,10-11,14H2,1H3,(H,30,31,34);3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33);3-10,12,26H,11H2,1-2H3,(H,27,28,30)/b30-26-;29-25-;;26-13+.

What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide?

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide has a molecular weight of 1990.56 g/mol, XLogP of 21.61, 28 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 159212690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).