N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide

C15H20ClNO3 — CID 114301169

IUPACN-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2Cl)cc1OC
InChIInChI=1S/C15H20ClNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyAVWHLDPIQBBLOE-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.98
Rot. Bonds4

About N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide

N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide (PubChem CID 114301169) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
PubChem CID114301169
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2Cl)cc1OC
InChIInChI=1S/C15H20ClNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyAVWHLDPIQBBLOE-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

3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3,4-dimethoxybenzamide
CID 41091374
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-(2-chlorocyclohexyl)-4-fluoro-3-methylbenzamide
CID 114301095

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide (CID 114301169) is N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CCCCC2Cl)cc1OC.
What is the InChIKey of N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide?
The InChIKey is AVWHLDPIQBBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-19-13-8-7-10(9-14(13)20-2)15(18)17-12-6-4-3-5-11(12)16/h7-9,11-12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide?
N-(2-chlorocyclohexyl)-3,4-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-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 114301169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).