2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide

C17H23ClN2O2 — CID 8978141

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
SMILESCCCCCC[C@@H](C)NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-3-4-5-6-7-13(2)20-17(21)12-22-16-9-8-14(11-19)10-15(16)18/h8-10,13H,3-7,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyKUGSXNVJBDLUSP-CYBMUJFWSA-N
MW322.84 g/mol
LogP4.07
Rot. Bonds9

About 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide (PubChem CID 8978141) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
PubChem CID8978141
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide
SMILESCCCCCC[C@@H](C)NC(=O)COc1ccc(C#N)cc1Cl
InChIInChI=1S/C17H23ClN2O2/c1-3-4-5-6-7-13(2)20-17(21)12-22-16-9-8-14(11-19)10-15(16)18/h8-10,13H,3-7,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyKUGSXNVJBDLUSP-CYBMUJFWSA-N
XLogP4.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]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-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(2-chloro-4-cyanophenoxy)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8977218
2-(2-chloro-4-cyanophenoxy)-N-(2-methylpropyl)acetamide
CID 8976368
[2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 9201983
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 8975980
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 98750854
3-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 119220599
2-(4-cyanophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 51172702

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide (CID 8978141) is 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide is CCCCCC[C@@H](C)NC(=O)COc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide?
The InChIKey is KUGSXNVJBDLUSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-4-5-6-7-13(2)20-17(21)12-22-16-9-8-14(11-19)10-15(16)18/h8-10,13H,3-7,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[(2R)-octan-2-yl]acetamide has a molecular weight of 322.84 g/mol, XLogP of 4.07, 9 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-[(2R)-octan-2-yl]acetamide is sourced from PubChem (CID 8978141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).