N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide

C15H20ClNO3 — CID 114296927

IUPACN-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCC(Cl)CC2)c1
InChIInChI=1S/C15H20ClNO3/c1-19-12-7-8-14(20-2)13(9-12)15(18)17-11-5-3-10(16)4-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)
InChIKeyLLRLHHZKPDDGDG-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.98
Rot. Bonds4

About N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide

N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide (PubChem CID 114296927) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
PubChem CID114296927
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2CCC(Cl)CC2)c1
InChIInChI=1S/C15H20ClNO3/c1-19-12-7-8-14(20-2)13(9-12)15(18)17-11-5-3-10(16)4-6-11/h7-11H,3-6H2,1-2H3,(H,17,18)
InChIKeyLLRLHHZKPDDGDG-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
2-bromo-N-(4-chlorocyclohexyl)-5-methoxybenzamide
CID 114296895
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
CID 110761313
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
2-amino-N-(4-carbamoylcyclohexyl)-4-methoxybenzamide
CID 115412622
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
4-[(2-bromo-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808715

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide (CID 114296927) is N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2CCC(Cl)CC2)c1.
What is the InChIKey of N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide?
The InChIKey is LLRLHHZKPDDGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-12-7-8-14(20-2)13(9-12)15(18)17-11-5-3-10(16)4-6-11/h7-11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide?
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 114296927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).