3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide

C10H11BrFNO2 — CID 43476832

IUPAC3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-6(5-14)13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyGEXLJGPGQAKASM-UHFFFAOYSA-N
MW276.11 g/mol
LogP1.70
Rot. Bonds3

About 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide

3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 43476832) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID43476832
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H11BrFNO2/c1-6(5-14)13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyGEXLJGPGQAKASM-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3-bromo-5-fluoro-N-(4-hydroxy-3-methylbutan-2-yl)benzamide
CID 113264397
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
3-bromo-N-(1-cyanopropan-2-yl)-5-fluorobenzamide
CID 62091701
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-fluorobenzamide
CID 114177786
2,4,6-trifluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 65100571
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3-bromo-5-fluoro-N-(2-methylpropoxy)benzamide
CID 115409989
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79247363
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
N-(1-aminohexan-2-yl)-3-bromo-5-fluorobenzamide
CID 80696821

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide (CID 43476832) is 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is GEXLJGPGQAKASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(5-14)13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide?
3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 276.11 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 43476832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).