2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide

C11H12ClNO4 — CID 889956

IUPAC2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C11H12ClNO4/c1-2-16-9-4-7(5-14)3-8(12)11(9)17-6-10(13)15/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKeyLIIYHMZQOKLGAI-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.42
Rot. Bonds6

About 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide

2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide (PubChem CID 889956) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide
PubChem CID889956
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide
SMILESCCOc1cc(C=O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C11H12ClNO4/c1-2-16-9-4-7(5-14)3-8(12)11(9)17-6-10(13)15/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKeyLIIYHMZQOKLGAI-UHFFFAOYSA-N
XLogP1.42
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide?
The IUPAC name of 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide (CID 889956) is 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide.
What is the SMILES notation for 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide?
The canonical SMILES for 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide is CCOc1cc(C=O)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide?
The InChIKey is LIIYHMZQOKLGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-2-16-9-4-7(5-14)3-8(12)11(9)17-6-10(13)15/h3-5H,2,6H2,1H3,(H2,13,15).
What are the key properties of 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide?
2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide has a molecular weight of 257.67 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-ethoxy-4-formylphenoxy)acetamide is sourced from PubChem (CID 889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).