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

C12H15BrFNO2 — CID 113343240

IUPAC2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2/c1-12(2,5-6-16)15-11(17)9-4-3-8(14)7-10(9)13/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyKUKAOUALVPYHHX-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.48
Rot. Bonds4

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

2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 113343240) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID113343240
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2/c1-12(2,5-6-16)15-11(17)9-4-3-8(14)7-10(9)13/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyKUKAOUALVPYHHX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
2-bromo-4-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772342
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
2-bromo-5-chloro-3-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 119052227
methyl 2-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763
2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
CID 56522962
2-bromo-4-fluorobenzohydrazide
CID 16780865
2-bromo-N-(3-carbamothioylpentan-3-yl)-4-fluorobenzamide
CID 61120812
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 113343240) is 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CC(C)(CCO)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is KUKAOUALVPYHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-12(2,5-6-16)15-11(17)9-4-3-8(14)7-10(9)13/h3-4,7,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 304.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 113343240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).