[3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

C30H19Cl4N3O6 — CID 3311927

About [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

[3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (PubChem CID 3311927) has the molecular formula C30H19Cl4N3O6 and a molecular weight of 659.31 g/mol. Its IUPAC name is [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.

Molecular Properties

• Compound Name: [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
• PubChem CID: 3311927
• Molecular Formula: C30H19Cl4N3O6
• Molecular Weight: 659.31 g/mol
• Exact Mass: 657.00
• IUPAC Name: [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
• SMILES: O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C30H19Cl4N3O6/c31-21-7-1-17(2-8-21)29(40)42-23-11-5-20(26(14-23)43-30(41)18-3-9-22(32)10-4-18)15-36-37-27(38)16-35-28(39)19-6-12-24(33)25(34)13-19/h1-15H,16H2,(H,35,39)(H,37,38)
• InChIKey: UTHFTLJZCQZQSW-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 123.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.31
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?

The IUPAC name of [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate (CID 3311927) is [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate.

What is the SMILES notation for [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?

The canonical SMILES for [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NN=Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1.

What is the InChIKey of [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?

The InChIKey is UTHFTLJZCQZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Cl4N3O6/c31-21-7-1-17(2-8-21)29(40)42-23-11-5-20(26(14-23)43-30(41)18-3-9-22(32)10-4-18)15-36-37-27(38)16-35-28(39)19-6-12-24(33)25(34)13-19/h1-15H,16H2,(H,35,39)(H,37,38).

What are the key properties of [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate?

[3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate has a molecular weight of 659.31 g/mol, XLogP of 6.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-chlorobenzoyl)oxy-4-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is sourced from PubChem (CID 3311927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).