2-(3,5-dichlorophenoxy)-N-methylacetamide

C9H9Cl2NO2 — CID 7848470

IUPAC2-(3,5-dichlorophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-12-9(13)5-14-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJGCJVIYXOGTXRU-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.12
Rot. Bonds3

About 2-(3,5-dichlorophenoxy)-N-methylacetamide

2-(3,5-dichlorophenoxy)-N-methylacetamide (PubChem CID 7848470) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-(3,5-dichlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenoxy)-N-methylacetamide
PubChem CID7848470
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2-(3,5-dichlorophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H9Cl2NO2/c1-12-9(13)5-14-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJGCJVIYXOGTXRU-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092
N-(2-amino-2-ethylbutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119641262
2-(3,5-dichlorophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7467237
1-chloro-3-(3,5-dichlorophenoxy)propan-2-one
CID 39356766
2-(3,5-dichlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7848446
N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119496606
2-(3,5-dichlorophenoxy)-N-(1-phenylethyl)acetamide
CID 18165800
2-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-N-methylacetamide
CID 104664187
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenoxy)-N-methylacetamide?
The IUPAC name of 2-(3,5-dichlorophenoxy)-N-methylacetamide (CID 7848470) is 2-(3,5-dichlorophenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dichlorophenoxy)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dichlorophenoxy)-N-methylacetamide is CNC(=O)COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenoxy)-N-methylacetamide?
The InChIKey is JGCJVIYXOGTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12-9(13)5-14-8-3-6(10)2-7(11)4-8/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(3,5-dichlorophenoxy)-N-methylacetamide?
2-(3,5-dichlorophenoxy)-N-methylacetamide has a molecular weight of 234.08 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 7848470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).