PBR-06

C₂₃H₂₂FNO₄ — CID 25208880

About PBR-06

PBR-06 (PubChem CID 25208880) has the molecular formula C₂₃H₂₂FNO₄ and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

• Compound Name: PBR-06
• PubChem CID: 25208880
• Molecular Formula: C₂₃H₂₂FNO₄
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.15
• IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenoxyphenyl)acetamide
• SMILES: COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
• InChI: InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
• InChIKey: NSOMTOOLHNHIJA-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 48.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of PBR-06?

The IUPAC name of PBR-06 (CID 25208880) is N-[(2,5-dimethoxyphenyl)methyl]-2-fluoro-N-(2-phenoxyphenyl)acetamide.

What is the SMILES notation for PBR-06?

The canonical SMILES for PBR-06 is COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1.

What is the InChIKey of PBR-06?

The InChIKey is NSOMTOOLHNHIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3.

What are the key properties of PBR-06?

PBR-06 has a molecular weight of 395.43 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for PBR-06 is sourced from PubChem (CID 25208880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25208880 — identifiers, structure, computed properties (public domain)

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