2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide

C16H12Cl2N2O2 — CID 8975722

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-4-1-11(2-5-13)9-20-16(21)10-22-15-6-3-12(8-19)7-14(15)18/h1-7H,9-10H2,(H,20,21)
InChIKeyFCEGTRBBHBQZQL-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 8975722) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID8975722
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
SMILESN#Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-4-1-11(2-5-13)9-20-16(21)10-22-15-6-3-12(8-19)7-14(15)18/h1-7H,9-10H2,(H,20,21)
InChIKeyFCEGTRBBHBQZQL-UHFFFAOYSA-N
XLogP3.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]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-(2-methylpropyl)acetamide
CID 8976368
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(2-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 9427637
5,7-dichloro-4-[2-[(4-cyanophenyl)methylamino]-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 67479389
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 7992879
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide (CID 8975722) is 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide is N#Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is FCEGTRBBHBQZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-13-4-1-11(2-5-13)9-20-16(21)10-22-15-6-3-12(8-19)7-14(15)18/h1-7H,9-10H2,(H,20,21).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 335.19 g/mol, XLogP of 3.56, 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-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8975722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).