2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide

C11H13Cl2NO4 — CID 79676223

IUPAC2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO4/c1-16-4-5-18-14-11(15)7-17-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyURKSKOSNQAZIKS-UHFFFAOYSA-N
MW294.13 g/mol
LogP2.07
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide

2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide (PubChem CID 79676223) has the molecular formula C11H13Cl2NO4 and a molecular weight of 294.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide
PubChem CID79676223
Molecular FormulaC11H13Cl2NO4
Molecular Weight294.13 g/mol
Exact Mass293.02
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide
SMILESCOCCONC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO4/c1-16-4-5-18-14-11(15)7-17-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyURKSKOSNQAZIKS-UHFFFAOYSA-N
XLogP2.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N-(2-methoxyethoxy)acetamide
CID 79676788
methyl 2-[[2-(3,4-dichlorophenoxy)acetyl]amino]-3-methylbutanoate
CID 43423967
2-(3,4-dichlorophenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2706581
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]ethyl carbamate
CID 175188468
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
N-[(2S)-butan-2-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 95168672
2-[[2-(3,4-dichlorophenoxy)acetyl]amino]propanoic acid
CID 43170839
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]butanoic acid
CID 43360889
3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9196891

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide (CID 79676223) is 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide is COCCONC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide?
The InChIKey is URKSKOSNQAZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4/c1-16-4-5-18-14-11(15)7-17-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide?
2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide has a molecular weight of 294.13 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 79676223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).