3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide

C16H22BrNO — CID 79878594

IUPAC3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCCCC1(C)C
InChIInChI=1S/C16H22BrNO/c1-11-12(7-6-8-13(11)17)15(19)18-14-9-4-5-10-16(14,2)3/h6-8,14H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyQEAMSYXKRSDVKT-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide

3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide (PubChem CID 79878594) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
PubChem CID79878594
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC1CCCCC1(C)C
InChIInChI=1S/C16H22BrNO/c1-11-12(7-6-8-13(11)17)15(19)18-14-9-4-5-10-16(14,2)3/h6-8,14H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyQEAMSYXKRSDVKT-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-bromo-2-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211032
4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
CID 79878094
3-bromo-2-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767177
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
CID 79879003
2-(3-aminoprop-1-ynyl)-N-(2,2-dimethylcyclohexyl)benzamide
CID 79871842
3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 103707615
2-amino-N-(2,2-dimethylcyclohexyl)-5-nitrobenzamide
CID 79871473
N-(2,2-dimethylcyclohexyl)-2-(ethylamino)pyridine-3-carboxamide
CID 79872423
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 113274839
3-bromo-2-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688434
3-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689154

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide (CID 79878594) is 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NC1CCCCC1(C)C.
What is the InChIKey of 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide?
The InChIKey is QEAMSYXKRSDVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-12(7-6-8-13(11)17)15(19)18-14-9-4-5-10-16(14,2)3/h6-8,14H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide?
3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide has a molecular weight of 324.26 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide is sourced from PubChem (CID 79878594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).