2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone

C20H18Br4N2O4 — CID 5163017

IUPAC2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)COc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C20H18Br4N2O4/c21-13-1-3-17(15(23)9-13)29-11-19(27)25-5-7-26(8-6-25)20(28)12-30-18-4-2-14(22)10-16(18)24/h1-4,9-10H,5-8,11-12H2
InChIKeyQIJXHHZRNJXGIQ-UHFFFAOYSA-N
MW669.99 g/mol
LogP4.87
Rot. Bonds6

About 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone

2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 5163017) has the molecular formula C20H18Br4N2O4 and a molecular weight of 669.99 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID5163017
Molecular FormulaC20H18Br4N2O4
Molecular Weight669.99 g/mol
Exact Mass665.80
IUPAC Name2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)COc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C20H18Br4N2O4/c21-13-1-3-17(15(23)9-13)29-11-19(27)25-5-7-26(8-6-25)20(28)12-30-18-4-2-14(22)10-16(18)24/h1-4,9-10H,5-8,11-12H2
InChIKeyQIJXHHZRNJXGIQ-UHFFFAOYSA-N
XLogP4.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.99
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone 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

2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5229734
2-(2,4-dibromophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 26675446
2-(2,4-dibromophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403399
2-(4-amino-2-bromophenoxy)-1-pyrrolidin-1-ylethanone
CID 154897691
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
CID 78799892
2-(2,4-dibromophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62373044
2-(2-bromo-4-fluorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 9081184
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
2-[4-(aminomethyl)-2-bromophenoxy]-1-piperidin-1-ylethanone
CID 55147902
2-(2-amino-4-bromophenoxy)-1-morpholin-4-ylethanone
CID 65429602
1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone (CID 5163017) is 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Br)cc1Br)N1CCN(C(=O)COc2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is QIJXHHZRNJXGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br4N2O4/c21-13-1-3-17(15(23)9-13)29-11-19(27)25-5-7-26(8-6-25)20(28)12-30-18-4-2-14(22)10-16(18)24/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone?
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 669.99 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 5163017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).