2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide

C13H17ClFNO3 — CID 64557969

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCCC(C)(CO)NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-3-13(2,8-17)16-12(18)7-19-11-5-4-9(15)6-10(11)14/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyAQQIWOCNGZGXQD-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide (PubChem CID 64557969) has the molecular formula C13H17ClFNO3 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
PubChem CID64557969
Molecular FormulaC13H17ClFNO3
Molecular Weight289.73 g/mol
Exact Mass289.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
SMILESCCC(C)(CO)NC(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFNO3/c1-3-13(2,8-17)16-12(18)7-19-11-5-4-9(15)6-10(11)14/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
InChIKeyAQQIWOCNGZGXQD-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide (CID 64557969) is 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide is CCC(C)(CO)NC(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
The InChIKey is AQQIWOCNGZGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3/c1-3-13(2,8-17)16-12(18)7-19-11-5-4-9(15)6-10(11)14/h4-6,17H,3,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide has a molecular weight of 289.73 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 64557969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).