2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone

C18H18BrClN2O — CID 94826197

IUPAC2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-15-3-1-14(2-4-15)13-18(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h1-8H,9-13H2
InChIKeyMTWYOWOCMQMGOS-UHFFFAOYSA-N
MW393.71 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone

2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 94826197) has the molecular formula C18H18BrClN2O and a molecular weight of 393.71 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID94826197
Molecular FormulaC18H18BrClN2O
Molecular Weight393.71 g/mol
Exact Mass392.03
IUPAC Name2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-15-3-1-14(2-4-15)13-18(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h1-8H,9-13H2
InChIKeyMTWYOWOCMQMGOS-UHFFFAOYSA-N
XLogP3.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 113076678
2-(4-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2870850
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
2-(4-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 884392
butyl 4-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]benzoate
CID 13135953
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
2-(4-chlorophenyl)-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethanone
CID 113079110
2-(4-bromophenyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395536
2-(4-chlorophenyl)-1-[4-(2,3,4-trifluorophenyl)piperazin-1-yl]ethanone
CID 113081149
1-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110817436

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone (CID 94826197) is 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is MTWYOWOCMQMGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O/c19-15-3-1-14(2-4-15)13-18(23)22-11-9-21(10-12-22)17-7-5-16(20)6-8-17/h1-8H,9-13H2.
What are the key properties of 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone has a molecular weight of 393.71 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 94826197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).