2-(3-chlorophenoxy)-N-ethoxyacetamide

C10H12ClNO3 — CID 60700548

IUPAC2-(3-chlorophenoxy)-N-ethoxyacetamide
SMILESCCONC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-2-15-12-10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyCNPFFLXFYOJFCY-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.79
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-ethoxyacetamide

2-(3-chlorophenoxy)-N-ethoxyacetamide (PubChem CID 60700548) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-ethoxyacetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-ethoxyacetamide
PubChem CID60700548
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-(3-chlorophenoxy)-N-ethoxyacetamide
SMILESCCONC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-2-15-12-10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyCNPFFLXFYOJFCY-UHFFFAOYSA-N
XLogP1.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
N-ethoxy-2-(4-ethoxyphenoxy)acetamide
CID 60700690
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-[[2-(3-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9013268
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
N-(4-chlorophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977797
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 76937630

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-ethoxyacetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-ethoxyacetamide (CID 60700548) is 2-(3-chlorophenoxy)-N-ethoxyacetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-ethoxyacetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-ethoxyacetamide is CCONC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-ethoxyacetamide?
The InChIKey is CNPFFLXFYOJFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-2-15-12-10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(3-chlorophenoxy)-N-ethoxyacetamide?
2-(3-chlorophenoxy)-N-ethoxyacetamide has a molecular weight of 229.66 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-ethoxyacetamide is sourced from PubChem (CID 60700548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).