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

C11H13BrFNO2 — CID 43500489

IUPAC5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)8-5-7(12)3-4-9(8)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyGEUDPIHNFZPIIV-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds3

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

5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 43500489) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID43500489
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)8-5-7(12)3-4-9(8)13/h3-5,15H,6H2,1-2H3,(H,14,16)
InChIKeyGEUDPIHNFZPIIV-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

N-(1,1-Dimethyl-2-hydroxyethyl)benzamide
CID 639965
4-fluoro-N-(2-hydroxy-1,1-dimethylethyl)benzamide
CID 884880
5-bromo-N-ethyl-2-fluorobenzamide
CID 24699606
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 639975
N-(2-Hydroxy-1-hydroxymethyl-1-methyl-ethyl)-benzamide
CID 3621307
4-bromo-2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43418367
2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 57398528
3-bromo-N-(1-methoxypropan-2-yl)benzamide
CID 2905278
N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzamide
CID 4252558
4-bromo-N-tert-butylbenzamide
CID 603258
4-Bromo-N-(2-hydroxyethyl)benzamide
CID 316802
2-Bromo-N~1~,N~3~-bis(2-hydroxy-1,1-dimethylethyl)isophthalamide
CID 395335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 43500489) is 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is GEUDPIHNFZPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,6-15)14-10(16)8-5-7(12)3-4-9(8)13/h3-5,15H,6H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
5-bromo-2-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 5-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 43500489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).