2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide

C10H10ClNO4 — CID 7028327

IUPAC2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C10H10ClNO4/c1-15-8-3-6(4-13)2-7(11)10(8)16-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyKNWGWROBBUMATG-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.03
Rot. Bonds5

About 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide

2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide (PubChem CID 7028327) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide
PubChem CID7028327
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C10H10ClNO4/c1-15-8-3-6(4-13)2-7(11)10(8)16-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14)
InChIKeyKNWGWROBBUMATG-UHFFFAOYSA-N
XLogP1.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.03
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-4-formyl-6-methoxyphenoxy)acetamide?
The IUPAC name of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide (CID 7028327) is 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide?
The canonical SMILES for 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide is COc1cc(C=O)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide?
The InChIKey is KNWGWROBBUMATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-15-8-3-6(4-13)2-7(11)10(8)16-5-9(12)14/h2-4H,5H2,1H3,(H2,12,14).
What are the key properties of 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide?
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide has a molecular weight of 243.65 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formyl-6-methoxyphenoxy)acetamide is sourced from PubChem (CID 7028327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).