2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C17H24BrClN2O2 — CID 1347804

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)COc2ccc(Br)cc2Cl)CC(C)(C)N1
InChIInChI=1S/C17H24BrClN2O2/c1-16(2)8-12(9-17(3,4)21-16)20-15(22)10-23-14-6-5-11(18)7-13(14)19/h5-7,12,21H,8-10H2,1-4H3,(H,20,22)
InChIKeyUNEBIHOEVVPBGT-UHFFFAOYSA-N
MW403.75 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 1347804) has the molecular formula C17H24BrClN2O2 and a molecular weight of 403.75 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID1347804
Molecular FormulaC17H24BrClN2O2
Molecular Weight403.75 g/mol
Exact Mass402.07
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCC1(C)CC(NC(=O)COc2ccc(Br)cc2Cl)CC(C)(C)N1
InChIInChI=1S/C17H24BrClN2O2/c1-16(2)8-12(9-17(3,4)21-16)20-15(22)10-23-14-6-5-11(18)7-13(14)19/h5-7,12,21H,8-10H2,1-4H3,(H,20,22)
InChIKeyUNEBIHOEVVPBGT-UHFFFAOYSA-N
XLogP3.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.75
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-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-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 1347804) is 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is CC1(C)CC(NC(=O)COc2ccc(Br)cc2Cl)CC(C)(C)N1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is UNEBIHOEVVPBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrClN2O2/c1-16(2)8-12(9-17(3,4)21-16)20-15(22)10-23-14-6-5-11(18)7-13(14)19/h5-7,12,21H,8-10H2,1-4H3,(H,20,22).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 403.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 1347804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).