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

C17H17ClN2O2 — CID 108512199

IUPACN-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H17ClN2O2/c1-10-8-11(2)15(12(3)9-10)20-17(22)16(21)19-14-6-4-13(18)5-7-14/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyFUUQFSOSJQKQOC-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.84
Rot. Bonds2

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

N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 108512199) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID108512199
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H17ClN2O2/c1-10-8-11(2)15(12(3)9-10)20-17(22)16(21)19-14-6-4-13(18)5-7-14/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyFUUQFSOSJQKQOC-UHFFFAOYSA-N
XLogP3.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.84
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-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 45000406
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N'-(2,6-difluorophenyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512223
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2,4,6-trimethylphenyl)oxamide
CID 6871449
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N-(4-hydroxy-2-methylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108509461
N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 108512199) is N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is FUUQFSOSJQKQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-10-8-11(2)15(12(3)9-10)20-17(22)16(21)19-14-6-4-13(18)5-7-14/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 108512199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).