2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone

C20H18Br2Cl2N2O4 — CID 5229734

IUPAC2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Br)N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C20H18Br2Cl2N2O4/c21-15-9-13(23)1-3-17(15)29-11-19(27)25-5-7-26(8-6-25)20(28)12-30-18-4-2-14(24)10-16(18)22/h1-4,9-10H,5-8,11-12H2
InChIKeyFBAAGEJJZVXNFV-UHFFFAOYSA-N
MW581.09 g/mol
LogP4.65
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone

2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 5229734) has the molecular formula C20H18Br2Cl2N2O4 and a molecular weight of 581.09 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID5229734
Molecular FormulaC20H18Br2Cl2N2O4
Molecular Weight581.09 g/mol
Exact Mass577.90
IUPAC Name2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1Br)N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C20H18Br2Cl2N2O4/c21-15-9-13(23)1-3-17(15)29-11-19(27)25-5-7-26(8-6-25)20(28)12-30-18-4-2-14(24)10-16(18)22/h1-4,9-10H,5-8,11-12H2
InChIKeyFBAAGEJJZVXNFV-UHFFFAOYSA-N
XLogP4.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.09
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)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-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79411195
2-(2-bromo-4-chlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112786449
2-(2-bromo-4-chlorophenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 7303245
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(2-bromo-4-chlorophenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2949592
2-(2-bromo-4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727030
2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 61379377
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
2-(2-bromo-4,6-dichlorophenoxy)-1-[4-[2-(2-bromo-4,6-dichlorophenoxy)acetyl]piperazin-1-yl]ethanone
CID 17096623
2-(2-bromo-4-chlorophenoxy)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18156983

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone (CID 5229734) is 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone is O=C(COc1ccc(Cl)cc1Br)N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is FBAAGEJJZVXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Br2Cl2N2O4/c21-15-9-13(23)1-3-17(15)29-11-19(27)25-5-7-26(8-6-25)20(28)12-30-18-4-2-14(24)10-16(18)22/h1-4,9-10H,5-8,11-12H2.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone?
2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 581.09 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-1-[4-[2-(2-bromo-4-chlorophenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 5229734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).