5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide

C15H20BrNO2 — CID 107729810

IUPAC5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
SMILESCC1(C)CCCC(NC(=O)c2cc(Br)ccc2O)C1
InChIInChI=1S/C15H20BrNO2/c1-15(2)7-3-4-11(9-15)17-14(19)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyVIYLPVISIUWQIK-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.85
Rot. Bonds2

About 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide

5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide (PubChem CID 107729810) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
PubChem CID107729810
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
SMILESCC1(C)CCCC(NC(=O)c2cc(Br)ccc2O)C1
InChIInChI=1S/C15H20BrNO2/c1-15(2)7-3-4-11(9-15)17-14(19)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyVIYLPVISIUWQIK-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
2,4-dibromo-N-(4,4-dimethylcyclohexyl)benzamide
CID 107952478
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
5-bromo-2-[(3,3-dimethylcyclohexyl)amino]benzenecarbothioamide
CID 114891973
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide (CID 107729810) is 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide is CC1(C)CCCC(NC(=O)c2cc(Br)ccc2O)C1.
What is the InChIKey of 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide?
The InChIKey is VIYLPVISIUWQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2)7-3-4-11(9-15)17-14(19)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide?
5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide is sourced from PubChem (CID 107729810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).