5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C11H13BrFNO2 — CID 103919695

IUPAC5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-8(6-15)14-11(16)9-5-7(12)3-4-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyDGPMKLXDBOWMKT-MRVPVSSYSA-N
MW290.13 g/mol
LogP2.09
Rot. Bonds4

About 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide

5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 103919695) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID103919695
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFNO2/c1-2-8(6-15)14-11(16)9-5-7(12)3-4-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1
InChIKeyDGPMKLXDBOWMKT-MRVPVSSYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
5-bromo-2-fluoro-N-pentan-2-ylbenzamide
CID 24700042
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 113264436
1-(4-bromo-2-fluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110890470
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
CID 65041076
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 103919695) is 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is DGPMKLXDBOWMKT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-2-8(6-15)14-11(16)9-5-7(12)3-4-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of 5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 290.13 g/mol, XLogP of 2.09, 4 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-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 103919695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).