[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone

C18H15BrCl2N2O2 — CID 55660753

IUPAC[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H15BrCl2N2O2/c19-15-4-2-1-3-13(15)17(24)22-7-9-23(10-8-22)18(25)14-6-5-12(20)11-16(14)21/h1-6,11H,7-10H2
InChIKeyPWNKILAZSOSEEB-UHFFFAOYSA-N
MW442.14 g/mol
LogP4.35
Rot. Bonds2

About [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone

[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 55660753) has the molecular formula C18H15BrCl2N2O2 and a molecular weight of 442.14 g/mol. Its IUPAC name is [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
PubChem CID55660753
Molecular FormulaC18H15BrCl2N2O2
Molecular Weight442.14 g/mol
Exact Mass439.97
IUPAC Name[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H15BrCl2N2O2/c19-15-4-2-1-3-13(15)17(24)22-7-9-23(10-8-22)18(25)14-6-5-12(20)11-16(14)21/h1-6,11H,7-10H2
InChIKeyPWNKILAZSOSEEB-UHFFFAOYSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 166355375
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone (CID 55660753) is [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is PWNKILAZSOSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrCl2N2O2/c19-15-4-2-1-3-13(15)17(24)22-7-9-23(10-8-22)18(25)14-6-5-12(20)11-16(14)21/h1-6,11H,7-10H2.
What are the key properties of [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone?
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 442.14 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 55660753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).