[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate

C30H22Cl3N3O5 — CID 126003202

About [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate

[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate (PubChem CID 126003202) has the molecular formula C30H22Cl3N3O5 and a molecular weight of 610.88 g/mol. Its IUPAC name is [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate.

Molecular Properties

• Compound Name: [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
• PubChem CID: 126003202
• Molecular Formula: C30H22Cl3N3O5
• Molecular Weight: 610.88 g/mol
• Exact Mass: 609.06
• IUPAC Name: [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
• SMILES: CCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C30H22Cl3N3O5/c1-2-40-27-15-18(7-14-26(27)41-30(39)22-13-12-21(32)16-24(22)33)17-34-36-29(38)23-5-3-4-6-25(23)35-28(37)19-8-10-20(31)11-9-19/h3-17H,2H2,1H3,(H,35,37)(H,36,38)/b34-17-
• InChIKey: IXIJWISGPANWGI-DLCNMLRHSA-N
• XLogP: 7.28
• TPSA: 106.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.88
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?

The IUPAC name of [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate (CID 126003202) is [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate.

What is the SMILES notation for [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?

The canonical SMILES for [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate is CCOc1cc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?

The InChIKey is IXIJWISGPANWGI-DLCNMLRHSA-N. The full InChI is InChI=1S/C30H22Cl3N3O5/c1-2-40-27-15-18(7-14-26(27)41-30(39)22-13-12-21(32)16-24(22)33)17-34-36-29(38)23-5-3-4-6-25(23)35-28(37)19-8-10-20(31)11-9-19/h3-17H,2H2,1H3,(H,35,37)(H,36,38)/b34-17-.

What are the key properties of [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate?

[4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate has a molecular weight of 610.88 g/mol, XLogP of 7.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-[[2-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 126003202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).