2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide

C16H13ClN2O2 — CID 7642831

IUPAC2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13ClN2O2/c1-11-2-7-14(17)15(8-11)21-10-16(20)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,20)
InChIKeyNMZDEKSIPZOTBK-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide (PubChem CID 7642831) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
PubChem CID7642831
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C16H13ClN2O2/c1-11-2-7-14(17)15(8-11)21-10-16(20)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,20)
InChIKeyNMZDEKSIPZOTBK-UHFFFAOYSA-N
XLogP3.54
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)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

N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-(2-chloro-5-methylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 7917293
2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
methyl 4-[[2-[2-(2-chloro-5-methylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7570532
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
N-(2-chloro-4-methylphenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 7252194
2-(5-cyano-2-methylphenoxy)-N-phenylacetamide
CID 103760055

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide (CID 7642831) is 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide is Cc1ccc(Cl)c(OCC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide?
The InChIKey is NMZDEKSIPZOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11-2-7-14(17)15(8-11)21-10-16(20)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide has a molecular weight of 300.75 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 7642831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).