2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide

C17H18ClNO3 — CID 2191781

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-10-4-5-15(20)14(6-10)19-16(21)9-22-13-7-11(2)17(18)12(3)8-13/h4-8,20H,9H2,1-3H3,(H,19,21)
InChIKeyGCPLZMDSUFSJNX-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide (PubChem CID 2191781) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
PubChem CID2191781
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
SMILESCc1ccc(O)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-10-4-5-15(20)14(6-10)19-16(21)9-22-13-7-11(2)17(18)12(3)8-13/h4-8,20H,9H2,1-3H3,(H,19,21)
InChIKeyGCPLZMDSUFSJNX-UHFFFAOYSA-N
XLogP3.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide (CID 2191781) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide is Cc1ccc(O)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide?
The InChIKey is GCPLZMDSUFSJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-10-4-5-15(20)14(6-10)19-16(21)9-22-13-7-11(2)17(18)12(3)8-13/h4-8,20H,9H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide has a molecular weight of 319.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2191781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).