3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide

C17H24BrNO — CID 81471729

IUPAC3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2CCCC(C)C2)cc1Br
InChIInChI=1S/C17H24BrNO/c1-12-4-3-5-14(10-12)8-9-19-17(20)15-7-6-13(2)16(18)11-15/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyABRWWMZIDKLSBO-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.70
Rot. Bonds4

About 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide

3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide (PubChem CID 81471729) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide
PubChem CID81471729
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2CCCC(C)C2)cc1Br
InChIInChI=1S/C17H24BrNO/c1-12-4-3-5-14(10-12)8-9-19-17(20)15-7-6-13(2)16(18)11-15/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyABRWWMZIDKLSBO-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-methylcyclohexyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765554
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3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
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N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide (CID 81471729) is 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide is Cc1ccc(C(=O)NCCC2CCCC(C)C2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide?
The InChIKey is ABRWWMZIDKLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-12-4-3-5-14(10-12)8-9-19-17(20)15-7-6-13(2)16(18)11-15/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide?
3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide has a molecular weight of 338.29 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide is sourced from PubChem (CID 81471729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).