N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide

C17H17ClN2O2 — CID 108521008

IUPACN-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-9-12(2)15(14(18)10-11)19-16(21)17(22)20(3)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,19,21)
InChIKeyXIXYAICJFVKTKL-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.56
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide

N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide (PubChem CID 108521008) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
PubChem CID108521008
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-9-12(2)15(14(18)10-11)19-16(21)17(22)20(3)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,19,21)
InChIKeyXIXYAICJFVKTKL-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.56
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'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
CID 108503582
1-methyl-1-phenyl-3-(2,4,6-trimethylphenyl)urea
CID 108991139
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521021
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985607
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108506923

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide (CID 108521008) is N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide is Cc1cc(C)c(NC(=O)C(=O)N(C)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide?
The InChIKey is XIXYAICJFVKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-9-12(2)15(14(18)10-11)19-16(21)17(22)20(3)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide?
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide has a molecular weight of 316.79 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 108521008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).