N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide

C18H19ClN2O3 — CID 2173045

IUPACN-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-3-8-16(13(2)11-12)21-18(23)17(22)20-9-10-24-15-6-4-14(19)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySVWJCKBZAAIRLH-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide

N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide (PubChem CID 2173045) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide
PubChem CID2173045
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H19ClN2O3/c1-12-3-8-16(13(2)11-12)21-18(23)17(22)20-9-10-24-15-6-4-14(19)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySVWJCKBZAAIRLH-UHFFFAOYSA-N
XLogP3.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide (CID 2173045) is N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide?
The InChIKey is SVWJCKBZAAIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-3-8-16(13(2)11-12)21-18(23)17(22)20-9-10-24-15-6-4-14(19)5-7-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide?
N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide has a molecular weight of 346.81 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N'-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 2173045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).