2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H13BrFNO2 — CID 14002103

IUPAC2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)8-5-7(13)3-4-9(8)12/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyXRNVEAGGULHFPB-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds3

About 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 14002103) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID14002103
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)8-5-7(13)3-4-9(8)12/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyXRNVEAGGULHFPB-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

3-[(2-bromo-5-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672122
2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 61262982
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-5-fluorobenzamide
CID 66169373
2-[(2-bromo-5-fluorobenzoyl)amino]-2-ethylbutanoic acid
CID 79806832
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
methyl (2R)-2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylbutanoate
CID 94800835
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 14002103) is 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is XRNVEAGGULHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)8-5-7(13)3-4-9(8)12/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 2-bromo-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
2-bromo-5-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-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 14002103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).