3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide

C15H19Cl2NO2 — CID 46612296

IUPAC3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-9-3-5-11(6-4-9)18-15(19)10-7-12(16)14(20-2)13(17)8-10/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyKJUMWYGPRGIRJY-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.31
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide

3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide (PubChem CID 46612296) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide
PubChem CID46612296
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide
SMILESCOc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-9-3-5-11(6-4-9)18-15(19)10-7-12(16)14(20-2)13(17)8-10/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyKJUMWYGPRGIRJY-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114549918
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide (CID 46612296) is 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide is COc1c(Cl)cc(C(=O)NC2CCC(C)CC2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide?
The InChIKey is KJUMWYGPRGIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-9-3-5-11(6-4-9)18-15(19)10-7-12(16)14(20-2)13(17)8-10/h7-9,11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide?
3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 46612296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).