5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol

C₁₈H₁₂BrF₂NO₂ — CID 155428457

About 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol

5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol (PubChem CID 155428457) has the molecular formula C₁₈H₁₂BrF₂NO₂ and a molecular weight of 392.20 g/mol. Its IUPAC name is 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol.

Molecular Properties

• Compound Name: 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol
• PubChem CID: 155428457
• Molecular Formula: C₁₈H₁₂BrF₂NO₂
• Molecular Weight: 392.20 g/mol
• Exact Mass: 391.00
• IUPAC Name: 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol
• SMILES: Oc1ccccc1N(c1ccc(Br)cc1O)c1c(F)cccc1F
• InChI: InChI=1S/C18H12BrF2NO2/c19-11-8-9-15(17(24)10-11)22(14-6-1-2-7-16(14)23)18-12(20)4-3-5-13(18)21/h1-10,23-24H
• InChIKey: RVOIKKSXUXKEAK-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 43.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.20
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol?

The IUPAC name of 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol (CID 155428457) is 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol.

What is the SMILES notation for 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol?

The canonical SMILES for 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol is Oc1ccccc1N(c1ccc(Br)cc1O)c1c(F)cccc1F.

What is the InChIKey of 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol?

The InChIKey is RVOIKKSXUXKEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF2NO2/c19-11-8-9-15(17(24)10-11)22(14-6-1-2-7-16(14)23)18-12(20)4-3-5-13(18)21/h1-10,23-24H.

What are the key properties of 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol?

5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol has a molecular weight of 392.20 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol is sourced from PubChem (CID 155428457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155428457 — identifiers, structure, computed properties (public domain)

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