N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide

C17H16F2N2O2 — CID 108512223

IUPACN'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2c(F)cccc2F)c(C)c1
InChIInChI=1S/C17H16F2N2O2/c1-9-7-10(2)14(11(3)8-9)20-16(22)17(23)21-15-12(18)5-4-6-13(15)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGSIREXLVEWKIPN-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.47
Rot. Bonds2

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

N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108512223) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
PubChem CID108512223
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2c(F)cccc2F)c(C)c1
InChIInChI=1S/C17H16F2N2O2/c1-9-7-10(2)14(11(3)8-9)20-16(22)17(23)21-15-12(18)5-4-6-13(15)19/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyGSIREXLVEWKIPN-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.47
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

N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512199
N-(2,6-difluorophenyl)-N'-methoxyoxamide
CID 99636399
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512217

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide (CID 108512223) is N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2c(F)cccc2F)c(C)c1.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is GSIREXLVEWKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-9-7-10(2)14(11(3)8-9)20-16(22)17(23)21-15-12(18)5-4-6-13(15)19/h4-8H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide?
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 318.32 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108512223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).