2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

C18H16Cl2N2O2 — CID 55584400

IUPAC2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-12(16-8-5-14(19)9-17(16)20)22(2)18(23)11-24-15-6-3-13(10-21)4-7-15/h3-9,12H,11H2,1-2H3
InChIKeySRZSWZINNHMSPR-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.46
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide (PubChem CID 55584400) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
PubChem CID55584400
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
SMILESCC(c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H16Cl2N2O2/c1-12(16-8-5-14(19)9-17(16)20)22(2)18(23)11-24-15-6-3-13(10-21)4-7-15/h3-9,12H,11H2,1-2H3
InChIKeySRZSWZINNHMSPR-UHFFFAOYSA-N
XLogP4.46
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide
CID 55584576
2-(4-cyanoanilino)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 52732261
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
CID 55583785
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
2-(4-cyanophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188840
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide (CID 55584400) is 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide is CC(c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
The InChIKey is SRZSWZINNHMSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-12(16-8-5-14(19)9-17(16)20)22(2)18(23)11-24-15-6-3-13(10-21)4-7-15/h3-9,12H,11H2,1-2H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide?
2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide has a molecular weight of 363.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 55584400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).