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

C31H28Br2N2O4 — CID 5180817

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

2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide (PubChem CID 5180817) has the molecular formula C31H28Br2N2O4 and a molecular weight of 652.38 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
• PubChem CID: 5180817
• Molecular Formula: C31H28Br2N2O4
• Molecular Weight: 652.38 g/mol
• Exact Mass: 650.04
• IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
• SMILES: Cc1cc(Br)ccc1OCC(=O)Nc1ccc(Cc2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)cc1
• InChI: InChI=1S/C31H28Br2N2O4/c1-20-15-24(32)7-13-28(20)38-18-30(36)34-26-9-3-22(4-10-26)17-23-5-11-27(12-6-23)35-31(37)19-39-29-14-8-25(33)16-21(29)2/h3-16H,17-19H2,1-2H3,(H,34,36)(H,35,37)
• InChIKey: YCPWRXOYVMYQDZ-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.38
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide (CID 5180817) is 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide.

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

The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccc(Cc2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)cc1.

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

The InChIKey is YCPWRXOYVMYQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Br2N2O4/c1-20-15-24(32)7-13-28(20)38-18-30(36)34-26-9-3-22(4-10-26)17-23-5-11-27(12-6-23)35-31(37)19-39-29-14-8-25(33)16-21(29)2/h3-16H,17-19H2,1-2H3,(H,34,36)(H,35,37).

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

2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide has a molecular weight of 652.38 g/mol, XLogP of 7.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 5180817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).