2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide

C18H16Cl2N2O3 — CID 7992879

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-2-24-17-7-12(9-21)3-6-16(17)25-11-18(23)22-10-13-4-5-14(19)8-15(13)20/h3-8H,2,10-11H2,1H3,(H,22,23)
InChIKeyHRPPFZIGRPQDKS-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 7992879) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID7992879
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-2-24-17-7-12(9-21)3-6-16(17)25-11-18(23)22-10-13-4-5-14(19)8-15(13)20/h3-8H,2,10-11H2,1H3,(H,22,23)
InChIKeyHRPPFZIGRPQDKS-UHFFFAOYSA-N
XLogP3.96
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 2592336
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32627711
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
N-[(2,4-dichlorophenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 2710388
N-[(2,4-dichlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46762453

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 7992879) is 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is HRPPFZIGRPQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-2-24-17-7-12(9-21)3-6-16(17)25-11-18(23)22-10-13-4-5-14(19)8-15(13)20/h3-8H,2,10-11H2,1H3,(H,22,23).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 379.24 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 7992879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).