N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide

C16H13ClF2N2O2 — CID 108532254

IUPACN'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-8-5-9(2)14(11(17)6-8)21-16(23)15(22)20-13-4-3-10(18)7-12(13)19/h3-7H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGRDVHRVGHFTLP-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.81
Rot. Bonds2

About N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide

N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide (PubChem CID 108532254) has the molecular formula C16H13ClF2N2O2 and a molecular weight of 338.74 g/mol. Its IUPAC name is N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
PubChem CID108532254
Molecular FormulaC16H13ClF2N2O2
Molecular Weight338.74 g/mol
Exact Mass338.06
IUPAC NameN'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(Cl)c1
InChIInChI=1S/C16H13ClF2N2O2/c1-8-5-9(2)14(11(17)6-8)21-16(23)15(22)20-13-4-3-10(18)7-12(13)19/h3-7H,1-2H3,(H,20,22)(H,21,23)
InChIKeyWGRDVHRVGHFTLP-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(2,4-difluorophenyl)acetamide
CID 42125098
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 7763930
N'-tert-butyl-N-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108506923
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
CID 108511990
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515250
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide?
The IUPAC name of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide (CID 108532254) is N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide?
The canonical SMILES for N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(F)cc2F)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide?
The InChIKey is WGRDVHRVGHFTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O2/c1-8-5-9(2)14(11(17)6-8)21-16(23)15(22)20-13-4-3-10(18)7-12(13)19/h3-7H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide?
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide has a molecular weight of 338.74 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide is sourced from PubChem (CID 108532254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).