5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide

C16H16BrNO2 — CID 107729749

IUPAC5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C16H16BrNO2/c1-11(9-12-5-3-2-4-6-12)18-16(20)14-10-13(17)7-8-15(14)19/h2-8,10-11,19H,9H2,1H3,(H,18,20)
InChIKeyJYGBJDQIMYYLIN-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.52
Rot. Bonds4

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

5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 107729749) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
PubChem CID107729749
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C16H16BrNO2/c1-11(9-12-5-3-2-4-6-12)18-16(20)14-10-13(17)7-8-15(14)19/h2-8,10-11,19H,9H2,1H3,(H,18,20)
InChIKeyJYGBJDQIMYYLIN-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
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5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
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5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide (CID 107729749) is 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is JYGBJDQIMYYLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(9-12-5-3-2-4-6-12)18-16(20)14-10-13(17)7-8-15(14)19/h2-8,10-11,19H,9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide?
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 107729749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).