4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one

C14H16BrFN2O3 — CID 63600651

IUPAC4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H16BrFN2O3/c1-2-11-14(20)17-5-6-18(11)13(19)8-21-12-4-3-9(15)7-10(12)16/h3-4,7,11H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyAMNLWNGGJVXHOW-UHFFFAOYSA-N
MW359.20 g/mol
LogP1.70
Rot. Bonds4

About 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one

4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one (PubChem CID 63600651) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one
PubChem CID63600651
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C14H16BrFN2O3/c1-2-11-14(20)17-5-6-18(11)13(19)8-21-12-4-3-9(15)7-10(12)16/h3-4,7,11H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyAMNLWNGGJVXHOW-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-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

Related Compounds

4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one
CID 63600667
decyl 2-[1-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093995
butyl 2-[1-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17188961
dodecyl 2-[1-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086371
4-(2,4-dibromobenzoyl)-3-ethylpiperazin-2-one
CID 103882803
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372045
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
4-(4-bromo-2-chlorobenzoyl)-3-ethylpiperazin-2-one
CID 63600677
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 124702240
3-ethyl-4-[3-(4-fluorophenyl)sulfanylpropanoyl]piperazin-2-one
CID 63600129
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115
methyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrrolidine-3-carboxylate
CID 112733560

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one (CID 63600651) is 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)COc1ccc(Br)cc1F.
What is the InChIKey of 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one?
The InChIKey is AMNLWNGGJVXHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c1-2-11-14(20)17-5-6-18(11)13(19)8-21-12-4-3-9(15)7-10(12)16/h3-4,7,11H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one?
4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one has a molecular weight of 359.20 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).