4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide

C15H20BrNO2 — CID 79878094

IUPAC4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
SMILESCC1(C)CCCCC1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H20BrNO2/c1-15(2)8-4-3-5-13(15)17-14(19)11-7-6-10(16)9-12(11)18/h6-7,9,13,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyCIQVAIYURUVZOX-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.85
Rot. Bonds2

About 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide

4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide (PubChem CID 79878094) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
PubChem CID79878094
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
SMILESCC1(C)CCCCC1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H20BrNO2/c1-15(2)8-4-3-5-13(15)17-14(19)11-7-6-10(16)9-12(11)18/h6-7,9,13,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeyCIQVAIYURUVZOX-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-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
CID 79877931
N-(2,2-dimethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443518
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
CID 79878594
2-amino-N-(2,2-dimethylcyclohexyl)-5-nitrobenzamide
CID 79871473
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
CID 79879003
2,4-dibromo-N-(2,2-dimethylcyclopropyl)benzamide
CID 103882627
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
CID 79855552
4-bromo-N-(2,2-dimethylcyclopropyl)-2-sulfanylbenzamide
CID 107027442
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide (CID 79878094) is 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide is CC1(C)CCCCC1NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide?
The InChIKey is CIQVAIYURUVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-15(2)8-4-3-5-13(15)17-14(19)11-7-6-10(16)9-12(11)18/h6-7,9,13,18H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide?
4-bromo-N-(2,2-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 4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide is sourced from PubChem (CID 79878094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).