2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)

C68H56Cl6N10O9 — CID 158005865

About 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)

2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) (PubChem CID 158005865) has the molecular formula C68H56Cl6N10O9 and a molecular weight of 1369.97 g/mol. Its IUPAC name is 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide).

Molecular Properties

• Compound Name: 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)
• PubChem CID: 158005865
• Molecular Formula: C68H56Cl6N10O9
• Molecular Weight: 1369.97 g/mol
• Exact Mass: 1366.24
• IUPAC Name: 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)
• SMILES: [H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/2C23H19Cl2N3O3.C22H18Cl2N4O3/c2*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;1-31-19-9-15(24)8-17(22(30)28-20-7-6-14(23)11-27-20)16(19)10-18(29)12-2-4-13(5-3-12)21(25)26/h2*3-10,12,26H,11H2,1-2H3,(H,27,28,30);2-9,11H,10H2,1H3,(H3,25,26)(H,27,28,30)/b2*26-13+
• InChIKey: FEHAOHDMWNWSJW-IPLJUQQMSA-N
• XLogP: 15.28
• TPSA: 302.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1369.97
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

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-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

The IUPAC name of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) (CID 158005865) is 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide).

What is the SMILES notation for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

The canonical SMILES for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) is [H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\N)c1ccc(C(=O)Cc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

The InChIKey is FEHAOHDMWNWSJW-IPLJUQQMSA-N. The full InChI is InChI=1S/2C23H19Cl2N3O3.C22H18Cl2N4O3/c2*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;1-31-19-9-15(24)8-17(22(30)28-20-7-6-14(23)11-27-20)16(19)10-18(29)12-2-4-13(5-3-12)21(25)26/h2*3-10,12,26H,11H2,1-2H3,(H,27,28,30);2-9,11H,10H2,1H3,(H3,25,26)(H,27,28,30)/b2*26-13+;.

What are the key properties of 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) has a molecular weight of 1369.97 g/mol, XLogP of 15.28, 21 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxybenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) is sourced from PubChem (CID 158005865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).