5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide

C13H9BrFNO2 — CID 28739625

IUPAC5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C13H9BrFNO2/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(17)5-3-9/h1-7,17H,(H,16,18)
InChIKeyHAUGSSMZROJWNR-UHFFFAOYSA-N
MW310.12 g/mol
LogP3.55
Rot. Bonds2

About 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide

5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide (PubChem CID 28739625) has the molecular formula C13H9BrFNO2 and a molecular weight of 310.12 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
PubChem CID28739625
Molecular FormulaC13H9BrFNO2
Molecular Weight310.12 g/mol
Exact Mass308.98
IUPAC Name5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C13H9BrFNO2/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(17)5-3-9/h1-7,17H,(H,16,18)
InChIKeyHAUGSSMZROJWNR-UHFFFAOYSA-N
XLogP3.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
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-pyrimidin-5-ylbenzamide
CID 104856789
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
N-(3-amino-4-methylphenyl)-5-bromo-2-fluorobenzamide
CID 24700004
5-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
CID 78929857
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
5-bromo-N-(2,6-difluoro-3-hydroxyphenyl)-2-fluorobenzamide
CID 89443501
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide (CID 28739625) is 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide?
The InChIKey is HAUGSSMZROJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO2/c14-8-1-6-12(15)11(7-8)13(18)16-9-2-4-10(17)5-3-9/h1-7,17H,(H,16,18).
What are the key properties of 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide?
5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide has a molecular weight of 310.12 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 28739625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).