N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide

C11H13ClN2O2 — CID 2266182

IUPACN'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-13-10(15)11(16)14-7-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyBTRLDUBQIORQNU-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.74
Rot. Bonds3

About N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide

N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide (PubChem CID 2266182) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide
PubChem CID2266182
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClN2O2/c1-13-10(15)11(16)14-7-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyBTRLDUBQIORQNU-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide (CID 2266182) is N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide is CNC(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide?
The InChIKey is BTRLDUBQIORQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-13-10(15)11(16)14-7-6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide?
N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide has a molecular weight of 240.69 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]-N-methyloxamide is sourced from PubChem (CID 2266182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).