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

C14H16BrClN2O3 — CID 63600667

IUPAC4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C14H16BrClN2O3/c1-2-11-14(20)17-5-6-18(11)13(19)8-21-12-4-3-9(16)7-10(12)15/h3-4,7,11H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyQSEMRMCLXVEZPJ-UHFFFAOYSA-N
MW375.65 g/mol
LogP2.22
Rot. Bonds4

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

4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one (PubChem CID 63600667) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one
PubChem CID63600667
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C14H16BrClN2O3/c1-2-11-14(20)17-5-6-18(11)13(19)8-21-12-4-3-9(16)7-10(12)15/h3-4,7,11H,2,5-6,8H2,1H3,(H,17,20)
InChIKeyQSEMRMCLXVEZPJ-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromo-2-fluorophenoxy)acetyl]-3-ethylpiperazin-2-one
CID 63600651
pentyl 2-[1-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17095433
dodecyl 2-[1-[2-(4-bromo-2-chlorophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086371
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
butan-2-yl 2-[1-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17096888
4-[2-(4-chlorophenyl)sulfanylacetyl]-3-ethylpiperazin-2-one
CID 63601860
decyl 2-[1-[2-(2-bromo-4-phenylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093968
2-[1-[2-(3-chloro-4-fluorophenoxy)acetyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 91766846
4-[3-(3-chloro-4-methylphenyl)propanoyl]-3-ethylpiperazin-2-one
CID 63601524
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
CID 63602232
2-(2-bromo-4-chlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786449
3-methylbutyl 2-[1-[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17189598

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one (CID 63600667) is 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one?
The InChIKey is QSEMRMCLXVEZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c1-2-11-14(20)17-5-6-18(11)13(19)8-21-12-4-3-9(16)7-10(12)15/h3-4,7,11H,2,5-6,8H2,1H3,(H,17,20).
What are the key properties of 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one?
4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one has a molecular weight of 375.65 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 63600667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).