2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C23H21BrN2O4 — CID 17471869

IUPAC2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(-c2ccc(Br)cc2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H21BrN2O4/c24-19-7-3-17(4-8-19)18-5-9-20(10-6-18)30-16-22(27)25-11-13-26(14-12-25)23(28)21-2-1-15-29-21/h1-10,15H,11-14,16H2
InChIKeyNZRVBOQSMLPVTQ-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.07
Rot. Bonds5

About 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 17471869) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID17471869
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccc(-c2ccc(Br)cc2)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C23H21BrN2O4/c24-19-7-3-17(4-8-19)18-5-9-20(10-6-18)30-16-22(27)25-11-13-26(14-12-25)23(28)21-2-1-15-29-21/h1-10,15H,11-14,16H2
InChIKeyNZRVBOQSMLPVTQ-UHFFFAOYSA-N
XLogP4.07
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)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

N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 46818738
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 29154616
2-(4-bromophenoxy)-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 17319395
[4-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 9205251
7-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387315
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915
1-[2-(4-bromophenoxy)acetyl]piperidin-4-one
CID 39451901
2-(4-bromophenoxy)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 38046701
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 17471869) is 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccc(-c2ccc(Br)cc2)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NZRVBOQSMLPVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c24-19-7-3-17(4-8-19)18-5-9-20(10-6-18)30-16-22(27)25-11-13-26(14-12-25)23(28)21-2-1-15-29-21/h1-10,15H,11-14,16H2.
What are the key properties of 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 469.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17471869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).