N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide

C16H21ClN2O2 — CID 108503660

IUPACN-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-11-8-9-12(17)10-14(11)18-15(20)16(21)19(2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,20)
InChIKeyKWCSQSLNNGLUQP-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.38
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide

N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide (PubChem CID 108503660) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
PubChem CID108503660
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-11-8-9-12(17)10-14(11)18-15(20)16(21)19(2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,20)
InChIKeyKWCSQSLNNGLUQP-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503847
N-(2-chloro-5-nitrophenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503669
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea
CID 75393711
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
2-[azetidin-3-yl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 66186447
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide (CID 108503660) is N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The InChIKey is KWCSQSLNNGLUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-8-9-12(17)10-14(11)18-15(20)16(21)19(2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,18,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide?
N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide has a molecular weight of 308.81 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide is sourced from PubChem (CID 108503660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).