2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

C26H24Br2N4O4 — CID 5087700

About 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (PubChem CID 5087700) has the molecular formula C26H24Br2N4O4 and a molecular weight of 616.31 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
• PubChem CID: 5087700
• Molecular Formula: C26H24Br2N4O4
• Molecular Weight: 616.31 g/mol
• Exact Mass: 614.02
• IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
• SMILES: Cc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C)cc3Br)cc2)c(Br)c1
• InChI: InChI=1S/C26H24Br2N4O4/c1-17-3-9-23(21(27)11-17)35-15-25(33)31-29-13-19-5-7-20(8-6-19)14-30-32-26(34)16-36-24-10-4-18(2)12-22(24)28/h3-14H,15-16H2,1-2H3,(H,31,33)(H,32,34)
• InChIKey: SLNDTGQSRZTOGM-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.31
LogP ≤ 5	4.89
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'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?

The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide (CID 5087700) is 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide.

What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?

The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is Cc1ccc(OCC(=O)NN=Cc2ccc(C=NNC(=O)COc3ccc(C)cc3Br)cc2)c(Br)c1.

What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?

The InChIKey is SLNDTGQSRZTOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Br2N4O4/c1-17-3-9-23(21(27)11-17)35-15-25(33)31-29-13-19-5-7-20(8-6-19)14-30-32-26(34)16-36-24-10-4-18(2)12-22(24)28/h3-14H,15-16H2,1-2H3,(H,31,33)(H,32,34).

What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide?

2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide has a molecular weight of 616.31 g/mol, XLogP of 4.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5087700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).