5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide

C13H7BrF3NO2 — CID 89443501

IUPAC5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(F)ccc(O)c1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H7BrF3NO2/c14-6-1-2-8(15)7(5-6)13(20)18-12-9(16)3-4-10(19)11(12)17/h1-5,19H,(H,18,20)
InChIKeyYBLROZDHXFOKFU-UHFFFAOYSA-N
MW346.10 g/mol
LogP3.82
Rot. Bonds2

About 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide

5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide (PubChem CID 89443501) has the molecular formula C13H7BrF3NO2 and a molecular weight of 346.10 g/mol. Its IUPAC name is 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
PubChem CID89443501
Molecular FormulaC13H7BrF3NO2
Molecular Weight346.10 g/mol
Exact Mass344.96
IUPAC Name5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
SMILESO=C(Nc1c(F)ccc(O)c1F)c1cc(Br)ccc1F
InChIInChI=1S/C13H7BrF3NO2/c14-6-1-2-8(15)7(5-6)13(20)18-12-9(16)3-4-10(19)11(12)17/h1-5,19H,(H,18,20)
InChIKeyYBLROZDHXFOKFU-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.10
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,6-difluoro-3-methylphenyl)-2-hydroxybenzamide
CID 107729819
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
2,5-dibromo-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107642067
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
CID 28739625
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
5-bromo-2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793080
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107729693
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide (CID 89443501) is 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide is O=C(Nc1c(F)ccc(O)c1F)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide?
The InChIKey is YBLROZDHXFOKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3NO2/c14-6-1-2-8(15)7(5-6)13(20)18-12-9(16)3-4-10(19)11(12)17/h1-5,19H,(H,18,20).
What are the key properties of 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide?
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide has a molecular weight of 346.10 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 89443501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).