2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H13BrFNO2 — CID 114559568

IUPAC2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)9-7(12)4-3-5-8(9)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyUJYVHGCCYOJIJM-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds3

About 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 114559568) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID114559568
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)9-7(12)4-3-5-8(9)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyUJYVHGCCYOJIJM-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trifluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 65100569
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
2-bromo-N-butyl-6-fluorobenzamide
CID 115678075
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990
2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 14002103
[3,5-difluoro-4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl] hypochlorite
CID 142805040
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016993
2-bromo-6-fluoro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 114559754
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 114559568) is 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is UJYVHGCCYOJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)9-7(12)4-3-5-8(9)13/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 114559568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).