N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide

C16H21ClN2O3 — CID 108942612

IUPACN'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-22-14-8-7-12(9-13(14)17)19-16(21)10-15(20)18-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyATOVISJLIBLLFJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.13
Rot. Bonds5

About N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide

N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide (PubChem CID 108942612) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
PubChem CID108942612
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NC2CCCCC2)cc1Cl
InChIInChI=1S/C16H21ClN2O3/c1-22-14-8-7-12(9-13(14)17)19-16(21)10-15(20)18-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyATOVISJLIBLLFJ-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-cycloheptylpropanediamide
CID 108951592
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831344
3-N-(3-chloro-4-methoxyphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103098
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
CID 131919860
2-(4-chloro-3-methoxyanilino)-N-cyclohexylacetamide
CID 107266016
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide (CID 108942612) is N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide is COc1ccc(NC(=O)CC(=O)NC2CCCCC2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide?
The InChIKey is ATOVISJLIBLLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-22-14-8-7-12(9-13(14)17)19-16(21)10-15(20)18-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide?
N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide has a molecular weight of 324.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-cyclohexylpropanediamide is sourced from PubChem (CID 108942612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).