2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide

C13H15ClN2O2 — CID 8976368

IUPAC2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-15)5-11(12)14/h3-5,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyUEXUBASFJPQQJZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.36
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide

2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 8976368) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID8976368
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-15)5-11(12)14/h3-5,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyUEXUBASFJPQQJZ-UHFFFAOYSA-N
XLogP2.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyano-2-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 2559188
2-(2-amino-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 61388717
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218
2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
CID 8978141
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
2-[[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]methyl]-4-methylpentanoic acid
CID 119252697
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 8975980

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide (CID 8976368) is 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is UEXUBASFJPQQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(2)7-16-13(17)8-18-12-4-3-10(6-15)5-11(12)14/h3-5,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide?
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 8976368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).