3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide

C12H15BrFNO2 — CID 113264397

IUPAC3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(CO)C(C)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-7(6-16)8(2)15-12(17)9-3-10(13)5-11(14)4-9/h3-5,7-8,16H,6H2,1-2H3,(H,15,17)
InChIKeyHXFQTZKBDCXAMP-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.33
Rot. Bonds4

About 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide

3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 113264397) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID113264397
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(CO)C(C)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-7(6-16)8(2)15-12(17)9-3-10(13)5-11(14)4-9/h3-5,7-8,16H,6H2,1-2H3,(H,15,17)
InChIKeyHXFQTZKBDCXAMP-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
1-(3-bromo-5-fluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111476035
3-bromo-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62091701
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-fluorobenzamide
CID 114177786
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide (CID 113264397) is 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide is CC(CO)C(C)NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is HXFQTZKBDCXAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-7(6-16)8(2)15-12(17)9-3-10(13)5-11(14)4-9/h3-5,7-8,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide?
3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 304.16 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 113264397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).