5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide

C13H16BrNO2 — CID 113235026

IUPAC5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
SMILESCC(CC1CC1)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO2/c1-8(6-9-2-3-9)15-13(17)11-7-10(14)4-5-12(11)16/h4-5,7-9,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyMHEWVCLQZNPYRS-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.07
Rot. Bonds4

About 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide

5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide (PubChem CID 113235026) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
PubChem CID113235026
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
SMILESCC(CC1CC1)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C13H16BrNO2/c1-8(6-9-2-3-9)15-13(17)11-7-10(14)4-5-12(11)16/h4-5,7-9,16H,2-3,6H2,1H3,(H,15,17)
InChIKeyMHEWVCLQZNPYRS-UHFFFAOYSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
CID 78956600
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CID 103600383
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 103722599
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
2-[(5-bromo-2-hydroxybenzoyl)amino]-2-cyclohexylacetic acid
CID 107729315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide (CID 113235026) is 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide is CC(CC1CC1)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide?
The InChIKey is MHEWVCLQZNPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8(6-9-2-3-9)15-13(17)11-7-10(14)4-5-12(11)16/h4-5,7-9,16H,2-3,6H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide?
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide has a molecular weight of 298.18 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 113235026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).