3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide

C14H11BrFNO2 — CID 104853246

IUPAC3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(O)cc2F)c1
InChIInChI=1S/C14H11BrFNO2/c1-8-4-9(6-10(15)5-8)14(19)17-13-3-2-11(18)7-12(13)16/h2-7,18H,1H3,(H,17,19)
InChIKeyOQNPLGFIWOHEPL-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.85
Rot. Bonds2

About 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide

3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide (PubChem CID 104853246) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
PubChem CID104853246
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2ccc(O)cc2F)c1
InChIInChI=1S/C14H11BrFNO2/c1-8-4-9(6-10(15)5-8)14(19)17-13-3-2-11(18)7-12(13)16/h2-7,18H,1H3,(H,17,19)
InChIKeyOQNPLGFIWOHEPL-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.85
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

3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
3-bromo-N-(4-chloro-2-methylphenyl)-5-methylbenzamide
CID 113460644
3-bromo-N-(2-bromo-6-fluorophenyl)-5-methylbenzamide
CID 113461585
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
3-bromo-N-(2,5-dichlorophenyl)-5-methylbenzamide
CID 113460618
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
N-(2-bromo-4-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676274

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide (CID 104853246) is 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2ccc(O)cc2F)c1.
What is the InChIKey of 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
The InChIKey is OQNPLGFIWOHEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-8-4-9(6-10(15)5-8)14(19)17-13-3-2-11(18)7-12(13)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide?
3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide has a molecular weight of 324.15 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-fluoro-4-hydroxyphenyl)-5-methylbenzamide is sourced from PubChem (CID 104853246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).