2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide

C18H16Cl2N2O3 — CID 10134290

IUPAC2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide
SMILESCC(C#N)(COc1ccccc1Cl)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-18(11-21,12-25-16-5-3-2-4-15(16)20)22-17(23)10-24-14-8-6-13(19)7-9-14/h2-9H,10,12H2,1H3,(H,22,23)
InChIKeyXMYCYROTAHQXSJ-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide

2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide (PubChem CID 10134290) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide
PubChem CID10134290
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide
SMILESCC(C#N)(COc1ccccc1Cl)NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2N2O3/c1-18(11-21,12-25-16-5-3-2-4-15(16)20)22-17(23)10-24-14-8-6-13(19)7-9-14/h2-9H,10,12H2,1H3,(H,22,23)
InChIKeyXMYCYROTAHQXSJ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N-[1-(4-chlorophenoxy)-2-cyanopropan-2-yl]-2-(2-chlorophenyl)pent-4-ynamide
CID 91061097
N-[1-(4-chlorophenoxy)-2-cyanopropan-2-yl]-2-(2-chlorophenyl)hexanamide
CID 90728503
2-(4-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84568280
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 2561230
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
N-(1-amino-2-methylpropan-2-yl)-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119523302
1-tert-butyl-3-[[2-(4-chlorophenoxy)acetyl]amino]thiourea
CID 9425491
2-(2-chlorophenoxy)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 43822465
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-[1-(2-chloro-5-fluorophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 24808425
2-(4-cyanophenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522927

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide (CID 10134290) is 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide is CC(C#N)(COc1ccccc1Cl)NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide?
The InChIKey is XMYCYROTAHQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-18(11-21,12-25-16-5-3-2-4-15(16)20)22-17(23)10-24-14-8-6-13(19)7-9-14/h2-9H,10,12H2,1H3,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide has a molecular weight of 379.24 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(2-chlorophenoxy)-2-cyanopropan-2-yl]acetamide is sourced from PubChem (CID 10134290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).