2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide

C14H18BrNO2 — CID 803345

IUPAC2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C14H18BrNO2/c1-10-8-11(15)6-7-13(10)18-9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17)
InChIKeyAWPUWINOQUXGFP-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide

2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide (PubChem CID 803345) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
PubChem CID803345
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide
SMILESCc1cc(Br)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C14H18BrNO2/c1-10-8-11(15)6-7-13(10)18-9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17)
InChIKeyAWPUWINOQUXGFP-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide 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-methylphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide (CID 803345) is 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide is Cc1cc(Br)ccc1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide?
The InChIKey is AWPUWINOQUXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-8-11(15)6-7-13(10)18-9-14(17)16-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide?
2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide has a molecular weight of 312.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 803345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).