2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C12H11BrF3NO3 — CID 8025314

IUPAC2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1cc(Br)ccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H11BrF3NO3/c1-7(18)9-4-8(13)2-3-10(9)20-5-11(19)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,19)
InChIKeyJQVIQKOTAQWSLN-UHFFFAOYSA-N
MW354.12 g/mol
LogP2.71
Rot. Bonds5

About 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 8025314) has the molecular formula C12H11BrF3NO3 and a molecular weight of 354.12 g/mol. Its IUPAC name is 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID8025314
Molecular FormulaC12H11BrF3NO3
Molecular Weight354.12 g/mol
Exact Mass352.99
IUPAC Name2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)c1cc(Br)ccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C12H11BrF3NO3/c1-7(18)9-4-8(13)2-3-10(9)20-5-11(19)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,19)
InChIKeyJQVIQKOTAQWSLN-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)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-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 8025314) is 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)c1cc(Br)ccc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JQVIQKOTAQWSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF3NO3/c1-7(18)9-4-8(13)2-3-10(9)20-5-11(19)17-6-12(14,15)16/h2-4H,5-6H2,1H3,(H,17,19).
What are the key properties of 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 354.12 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-bromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 8025314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).