[2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate

C44H31Cl5N2O7 — CID 91243826

About [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate

[2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate (PubChem CID 91243826) has the molecular formula C44H31Cl5N2O7 and a molecular weight of 877.00 g/mol. Its IUPAC name is [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate.

Molecular Properties

• Compound Name: [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate
• PubChem CID: 91243826
• Molecular Formula: C44H31Cl5N2O7
• Molecular Weight: 877.00 g/mol
• Exact Mass: 874.06
• IUPAC Name: [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate
• SMILES: O=C(Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(Cl)c1)OC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(Cl)c1
• InChI: InChI=1S/C44H31Cl5N2O7/c45-30-8-4-7-29(17-30)25-57-40-16-12-32(47)23-34(40)44(55)51-38-14-10-28(19-36(38)49)21-42(53)58-41(52)20-27-9-13-37(35(48)18-27)50-43(54)33-22-31(46)11-15-39(33)56-24-26-5-2-1-3-6-26/h1-19,22-23H,20-21,24-25H2,(H,50,54)(H,51,55)
• InChIKey: COAZANDLGQUGAQ-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 120.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.00
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate?

The IUPAC name of [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate (CID 91243826) is [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate.

What is the SMILES notation for [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate?

The canonical SMILES for [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate is O=C(Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(Cl)c1)OC(=O)Cc1ccc(NC(=O)c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(Cl)c1.

What is the InChIKey of [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate?

The InChIKey is COAZANDLGQUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31Cl5N2O7/c45-30-8-4-7-29(17-30)25-57-40-16-12-32(47)23-34(40)44(55)51-38-14-10-28(19-36(38)49)21-42(53)58-41(52)20-27-9-13-37(35(48)18-27)50-43(54)33-22-31(46)11-15-39(33)56-24-26-5-2-1-3-6-26/h1-19,22-23H,20-21,24-25H2,(H,50,54)(H,51,55).

What are the key properties of [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate?

[2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate has a molecular weight of 877.00 g/mol, XLogP of 11.47, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate is sourced from PubChem (CID 91243826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).