N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide

C12H12Cl2N2O2 — CID 43213478

IUPACN-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-16(6-2-5-15)12(17)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,2,6,8H2,1H3
InChIKeyWMFRCKAXAJMVHE-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.74
Rot. Bonds5

About N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide

N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide (PubChem CID 43213478) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
PubChem CID43213478
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC NameN-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O2/c1-16(6-2-5-15)12(17)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,2,6,8H2,1H3
InChIKeyWMFRCKAXAJMVHE-UHFFFAOYSA-N
XLogP2.74
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
CID 87018263
4-chloro-2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 60676350
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 43243799
N-(2-cyanoethyl)-2-(2,5-dichlorophenyl)sulfonyl-N-methylacetamide
CID 64692201
2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
CID 2534824
2-(2,4-dichlorophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 72902089
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978281
2-[cyano(methyl)amino]ethyl 2-(2,4-dichlorophenoxy)acetate
CID 110191882
N-[(5-bromothiophen-2-yl)methyl]-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 55360454
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2399414
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-bromo-2-chlorophenoxy)acetate
CID 8957650

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide (CID 43213478) is N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide is CN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide?
The InChIKey is WMFRCKAXAJMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-16(6-2-5-15)12(17)8-18-11-4-3-9(13)7-10(11)14/h3-4,7H,2,6,8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide?
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide has a molecular weight of 287.15 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide is sourced from PubChem (CID 43213478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).