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

C17H17ClN2O3 — CID 2291924

IUPACN-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-12-6-8-13(9-7-12)20-17(22)16(21)19-10-11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyPMDDKBPXJSGLNY-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.78
Rot. Bonds5

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

N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide (PubChem CID 2291924) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide
PubChem CID2291924
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-12-6-8-13(9-7-12)20-17(22)16(21)19-10-11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyPMDDKBPXJSGLNY-UHFFFAOYSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.78
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-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide (CID 2291924) is N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide?
The InChIKey is PMDDKBPXJSGLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12-6-8-13(9-7-12)20-17(22)16(21)19-10-11-23-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide?
N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 2291924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).