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

C18H12BrF2NO2 — CID 155428457

IUPAC5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol
SMILESOc1ccccc1N(c1ccc(Br)cc1O)c1c(F)cccc1F
InChIInChI=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
InChIKeyRVOIKKSXUXKEAK-UHFFFAOYSA-N
MW392.20 g/mol
LogP5.61
Rot. Bonds3

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 Name5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol
PubChem CID155428457
Molecular FormulaC18H12BrF2NO2
Molecular Weight392.20 g/mol
Exact Mass391.00
IUPAC Name5-bromo-2-(N-(2,6-difluorophenyl)-2-hydroxyanilino)phenol
SMILESOc1ccccc1N(c1ccc(Br)cc1O)c1c(F)cccc1F
InChIInChI=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
InChIKeyRVOIKKSXUXKEAK-UHFFFAOYSA-N
XLogP5.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.20
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71416248
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2-(5-bromo-2-fluorophenyl)phenol
CID 83128574
4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
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2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
2-N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125806
N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide
CID 47387730
2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol
CID 136789792
5-(3-bromophenyl)-2-fluorophenol
CID 115049622
CID 155164288
CID 155164288
4-bromo-2-(2-fluoro-N-methylanilino)benzenecarboximidamide
CID 114904547

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).