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

C13H14Cl2N2O2 — CID 87018263

IUPACN-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
SMILESCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-2-17(7-3-6-16)13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,2-3,7,9H2,1H3
InChIKeyVWUGVTKKZJDHKJ-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.13
Rot. Bonds6

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

N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide (PubChem CID 87018263) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
PubChem CID87018263
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC NameN-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
SMILESCCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c1-2-17(7-3-6-16)13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,2-3,7,9H2,1H3
InChIKeyVWUGVTKKZJDHKJ-UHFFFAOYSA-N
XLogP3.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
2-(4-chloro-2-nitrophenoxy)-N,N-bis(2-cyanoethyl)acetamide
CID 38930573
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-propylamino]acetate
CID 112843696
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide
CID 43911644
N-(2-cyanoethyl)-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 87018691
2-(2,4-dichlorophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772778
2-(2-bromo-4-chlorophenoxy)-N-(2-cyanoethyl)-N-(4-methylphenyl)acetamide
CID 2534824
ethyl 2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-methoxyethyl)amino]acetate
CID 55726013
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 72847611

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide (CID 87018263) is N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide is CCN(CCC#N)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide?
The InChIKey is VWUGVTKKZJDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-2-17(7-3-6-16)13(18)9-19-12-5-4-10(14)8-11(12)15/h4-5,8H,2-3,7,9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide?
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide has a molecular weight of 301.17 g/mol, XLogP of 3.13, 6 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-ethylacetamide is sourced from PubChem (CID 87018263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).