1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one

C14H15BrFNO3 — CID 75520371

IUPAC1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
SMILESCC(=O)c1cc(Br)cc(F)c1OCCN1CCCC1=O
InChIInChI=1S/C14H15BrFNO3/c1-9(18)11-7-10(15)8-12(16)14(11)20-6-5-17-4-2-3-13(17)19/h7-8H,2-6H2,1H3
InChIKeyNPNFGPCACITELM-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one

1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one (PubChem CID 75520371) has the molecular formula C14H15BrFNO3 and a molecular weight of 344.18 g/mol. Its IUPAC name is 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
PubChem CID75520371
Molecular FormulaC14H15BrFNO3
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Name1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one
SMILESCC(=O)c1cc(Br)cc(F)c1OCCN1CCCC1=O
InChIInChI=1S/C14H15BrFNO3/c1-9(18)11-7-10(15)8-12(16)14(11)20-6-5-17-4-2-3-13(17)19/h7-8H,2-6H2,1H3
InChIKeyNPNFGPCACITELM-UHFFFAOYSA-N
XLogP2.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one 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 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one (CID 75520371) is 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one is CC(=O)c1cc(Br)cc(F)c1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is NPNFGPCACITELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3/c1-9(18)11-7-10(15)8-12(16)14(11)20-6-5-17-4-2-3-13(17)19/h7-8H,2-6H2,1H3.
What are the key properties of 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one?
1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 344.18 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetyl-4-bromo-6-fluorophenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 75520371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).