2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone

C19H17BrCl2N2O2 — CID 166358982

IUPAC2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cc(Br)ccc1Cl)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17BrCl2N2O2/c20-15-4-5-17(22)14(10-15)12-18(25)23-6-8-24(9-7-23)19(26)13-2-1-3-16(21)11-13/h1-5,10-11H,6-9,12H2
InChIKeyPVFDWLQERBWGDK-UHFFFAOYSA-N
MW456.17 g/mol
LogP4.28
Rot. Bonds3

About 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone

2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 166358982) has the molecular formula C19H17BrCl2N2O2 and a molecular weight of 456.17 g/mol. Its IUPAC name is 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone
PubChem CID166358982
Molecular FormulaC19H17BrCl2N2O2
Molecular Weight456.17 g/mol
Exact Mass453.99
IUPAC Name2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cc(Br)ccc1Cl)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17BrCl2N2O2/c20-15-4-5-17(22)14(10-15)12-18(25)23-6-8-24(9-7-23)19(26)13-2-1-3-16(21)11-13/h1-5,10-11H,6-9,12H2
InChIKeyPVFDWLQERBWGDK-UHFFFAOYSA-N
XLogP4.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.17
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 166638870
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 33135870
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 110364856
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
CID 119754548
[4-(2-bromoethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 80661118
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568007
[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32521987
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55656852
[4-(2-chloroethyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 39161623

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone (CID 166358982) is 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone is O=C(Cc1cc(Br)ccc1Cl)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is PVFDWLQERBWGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2O2/c20-15-4-5-17(22)14(10-15)12-18(25)23-6-8-24(9-7-23)19(26)13-2-1-3-16(21)11-13/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone?
2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 456.17 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 166358982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).