[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone

C18H18BrClN2O — CID 113079484

IUPAC[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Br)c1
InChIInChI=1S/C18H18BrClN2O/c1-13-5-6-17(16(19)11-13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(20)12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyYIAMGSFICVZHTF-UHFFFAOYSA-N
MW393.71 g/mol
LogP4.37
Rot. Bonds2

About [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone

[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 113079484) has the molecular formula C18H18BrClN2O and a molecular weight of 393.71 g/mol. Its IUPAC name is [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID113079484
Molecular FormulaC18H18BrClN2O
Molecular Weight393.71 g/mol
Exact Mass392.03
IUPAC Name[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Br)c1
InChIInChI=1S/C18H18BrClN2O/c1-13-5-6-17(16(19)11-13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(20)12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyYIAMGSFICVZHTF-UHFFFAOYSA-N
XLogP4.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113079474
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
(3-chlorophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 873489
(4-bromo-3-methylphenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484693
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383
(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077645

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 113079484) is [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone is Cc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is YIAMGSFICVZHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN2O/c1-13-5-6-17(16(19)11-13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(20)12-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 393.71 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 113079484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).