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

C12H15ClN2O2 — CID 2204743

IUPACN'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-2-14-11(16)12(17)15-8-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyQNBQLWURMSLFHG-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.13
Rot. Bonds4

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

N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide (PubChem CID 2204743) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide
PubChem CID2204743
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide
SMILESCCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-2-14-11(16)12(17)15-8-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyQNBQLWURMSLFHG-UHFFFAOYSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide (CID 2204743) is N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide is CCNC(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide?
The InChIKey is QNBQLWURMSLFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-14-11(16)12(17)15-8-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide?
N'-[2-(4-chlorophenyl)ethyl]-N-ethyloxamide has a molecular weight of 254.72 g/mol, XLogP of 1.13, 4 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-ethyloxamide is sourced from PubChem (CID 2204743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).