N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide

C16H21ClN2O3 — CID 111840930

IUPACN'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NC1CCCCC1CO
InChIInChI=1S/C16H21ClN2O3/c1-10-6-7-12(17)8-14(10)19-16(22)15(21)18-13-5-3-2-4-11(13)9-20/h6-8,11,13,20H,2-5,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyWWMXULIBGISKSS-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.25
Rot. Bonds3

About N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide (PubChem CID 111840930) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
PubChem CID111840930
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NC1CCCCC1CO
InChIInChI=1S/C16H21ClN2O3/c1-10-6-7-12(17)8-14(10)19-16(22)15(21)18-13-5-3-2-4-11(13)9-20/h6-8,11,13,20H,2-5,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyWWMXULIBGISKSS-UHFFFAOYSA-N
XLogP2.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227
1-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103709932
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503660
1-(2,4-dimethylphenyl)-3-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569546
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N'-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide
CID 111840919
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
CID 114178785
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide (CID 111840930) is N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NC1CCCCC1CO.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
The InChIKey is WWMXULIBGISKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10-6-7-12(17)8-14(10)19-16(22)15(21)18-13-5-3-2-4-11(13)9-20/h6-8,11,13,20H,2-5,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide has a molecular weight of 324.81 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]oxamide is sourced from PubChem (CID 111840930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).