2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone

C18H18BrClN2O — CID 113076678

IUPAC2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Br)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-15-3-1-2-14(12-15)13-18(23)22-10-8-21(9-11-22)17-6-4-16(20)5-7-17/h1-7,12H,8-11,13H2
InChIKeyYDCNULYYZXJQAK-UHFFFAOYSA-N
MW393.71 g/mol
LogP3.99
Rot. Bonds3

About 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone

2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone (PubChem CID 113076678) has the molecular formula C18H18BrClN2O and a molecular weight of 393.71 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
PubChem CID113076678
Molecular FormulaC18H18BrClN2O
Molecular Weight393.71 g/mol
Exact Mass392.03
IUPAC Name2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(Br)c1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H18BrClN2O/c19-15-3-1-2-14(12-15)13-18(23)22-10-8-21(9-11-22)17-6-4-16(20)5-7-17/h1-7,12H,8-11,13H2
InChIKeyYDCNULYYZXJQAK-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-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
1-(4-benzylpiperazin-1-yl)-2-(3-bromophenyl)ethanone
CID 100698276
2-(3-bromophenyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63394942
2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 159629366
2-[(3-bromophenyl)methylsulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 112776904
5-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1H-pyridin-2-one
CID 110735981
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 113081387
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
2-(4-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2870850
2-(3-bromophenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60619856

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone (CID 113076678) is 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone is O=C(Cc1cccc(Br)c1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
The InChIKey is YDCNULYYZXJQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O/c19-15-3-1-2-14(12-15)13-18(23)22-10-8-21(9-11-22)17-6-4-16(20)5-7-17/h1-7,12H,8-11,13H2.
What are the key properties of 2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone?
2-(3-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-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113076678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).