4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide

C16H22BrNO2 — CID 115369289

IUPAC4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
SMILESCCC1CCCC(NC(=O)c2ccc(Br)cc2OC)C1
InChIInChI=1S/C16H22BrNO2/c1-3-11-5-4-6-13(9-11)18-16(19)14-8-7-12(17)10-15(14)20-2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyXRICSMPZAGWPIL-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.16
Rot. Bonds4

About 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide

4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide (PubChem CID 115369289) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
PubChem CID115369289
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide
SMILESCCC1CCCC(NC(=O)c2ccc(Br)cc2OC)C1
InChIInChI=1S/C16H22BrNO2/c1-3-11-5-4-6-13(9-11)18-16(19)14-8-7-12(17)10-15(14)20-2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyXRICSMPZAGWPIL-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
CID 106131969
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
4-bromo-N-(3,5-dimethylcyclohexyl)-2-methoxybenzamide
CID 115369287
N-(1-acetylpiperidin-4-yl)-4-bromo-2-methoxybenzamide
CID 78988011
2-[(4-bromo-2-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 115368665
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
4-bromo-2-chloro-N-[3-(chloromethyl)cyclohexyl]benzamide
CID 112752852
4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
CID 113246081
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide (CID 115369289) is 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide is CCC1CCCC(NC(=O)c2ccc(Br)cc2OC)C1.
What is the InChIKey of 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide?
The InChIKey is XRICSMPZAGWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-3-11-5-4-6-13(9-11)18-16(19)14-8-7-12(17)10-15(14)20-2/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide?
4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethylcyclohexyl)-2-methoxybenzamide is sourced from PubChem (CID 115369289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).