4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide

C16H22BrNO2 — CID 115369287

IUPAC4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C16H22BrNO2/c1-10-6-11(2)8-13(7-10)18-16(19)14-5-4-12(17)9-15(14)20-3/h4-5,9-11,13H,6-8H2,1-3H3,(H,18,19)
InChIKeySJVDWWYVQBGAJI-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.01
Rot. Bonds3

About 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide

4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide (PubChem CID 115369287) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
PubChem CID115369287
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC1CC(C)CC(C)C1
InChIInChI=1S/C16H22BrNO2/c1-10-6-11(2)8-13(7-10)18-16(19)14-5-4-12(17)9-15(14)20-3/h4-5,9-11,13H,6-8H2,1-3H3,(H,18,19)
InChIKeySJVDWWYVQBGAJI-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-methoxy-N-(3-methylcyclobutyl)benzamide
CID 113467050
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
CID 115369289
4-bromo-N-(2,3-dimethylcyclopentyl)-2-methoxybenzamide
CID 115369291
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-[(4-bromo-2-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115368666
N-acetyl-4-bromo-2-methoxybenzamide
CID 115369201
4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
CID 113246081
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
2-hydroxy-4-methoxy-N-(3-methylcyclobutyl)benzamide
CID 115671067
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide (CID 115369287) is 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC1CC(C)CC(C)C1.
What is the InChIKey of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide?
The InChIKey is SJVDWWYVQBGAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-10-6-11(2)8-13(7-10)18-16(19)14-5-4-12(17)9-15(14)20-3/h4-5,9-11,13H,6-8H2,1-3H3,(H,18,19).
What are the key properties of 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide?
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide is sourced from PubChem (CID 115369287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).