N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide

C13H15ClN2O3 — CID 2293244

IUPACN-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-2-7-15-12(17)13(18)16-8-9-19-11-6-4-3-5-10(11)14/h2-6H,1,7-9H2,(H,15,17)(H,16,18)
InChIKeyIAMMBVZVWGDGGY-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.14
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide

N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide (PubChem CID 2293244) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide
PubChem CID2293244
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCCOc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-2-7-15-12(17)13(18)16-8-9-19-11-6-4-3-5-10(11)14/h2-6H,1,7-9H2,(H,15,17)(H,16,18)
InChIKeyIAMMBVZVWGDGGY-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.14
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide (CID 2293244) is N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCCOc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide?
The InChIKey is IAMMBVZVWGDGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-2-7-15-12(17)13(18)16-8-9-19-11-6-4-3-5-10(11)14/h2-6H,1,7-9H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide?
N-[2-(2-chlorophenoxy)ethyl]-N'-prop-2-enyloxamide has a molecular weight of 282.73 g/mol, XLogP of 1.14, 6 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'-prop-2-enyloxamide is sourced from PubChem (CID 2293244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).