[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

C23H15Br4N3O4 — CID 6242414

About [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate (PubChem CID 6242414) has the molecular formula C23H15Br4N3O4 and a molecular weight of 717.01 g/mol. Its IUPAC name is [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate.

Molecular Properties

• Compound Name: [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
• PubChem CID: 6242414
• Molecular Formula: C23H15Br4N3O4
• Molecular Weight: 717.01 g/mol
• Exact Mass: 712.78
• IUPAC Name: [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
• SMILES: O=C(CNC(=O)c1ccccc1Br)N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br
• InChI: InChI=1S/C23H15Br4N3O4/c24-14-9-13(21(19(27)10-14)34-23(33)16-6-2-4-8-18(16)26)11-29-30-20(31)12-28-22(32)15-5-1-3-7-17(15)25/h1-11H,12H2,(H,28,32)(H,30,31)/b29-11-
• InChIKey: IYSKOUKENJLLQG-KYMQWJLESA-N
• XLogP: 5.84
• TPSA: 96.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.01
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?

The IUPAC name of [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate (CID 6242414) is [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate.

What is the SMILES notation for [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?

The canonical SMILES for [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is O=C(CNC(=O)c1ccccc1Br)N/N=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br.

What is the InChIKey of [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?

The InChIKey is IYSKOUKENJLLQG-KYMQWJLESA-N. The full InChI is InChI=1S/C23H15Br4N3O4/c24-14-9-13(21(19(27)10-14)34-23(33)16-6-2-4-8-18(16)26)11-29-30-20(31)12-28-22(32)15-5-1-3-7-17(15)25/h1-11H,12H2,(H,28,32)(H,30,31)/b29-11-.

What are the key properties of [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate?

[2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate has a molecular weight of 717.01 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dibromo-6-[(Z)-[[2-[(2-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is sourced from PubChem (CID 6242414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).