3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C12H15BrFNO2 — CID 79246230

IUPAC3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyLZXRZWLETVKEKE-LLVKDONJSA-N
MW304.16 g/mol
LogP2.33
Rot. Bonds4

About 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79246230) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79246230
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyLZXRZWLETVKEKE-LLVKDONJSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79246230) is 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is LZXRZWLETVKEKE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-7(2)11(6-16)15-12(17)8-3-9(13)5-10(14)4-8/h3-5,7,11,16H,6H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 304.16 g/mol, XLogP of 2.33, 4 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79246230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).