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

C19H17BrCl2N2O2 — CID 166355375

IUPAC(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Br
InChIInChI=1S/C19H17BrCl2N2O2/c1-12-2-3-13(10-16(12)20)18(25)23-6-8-24(9-7-23)19(26)15-5-4-14(21)11-17(15)22/h2-5,10-11H,6-9H2,1H3
InChIKeyMDJWJJPXCUBJIQ-UHFFFAOYSA-N
MW456.17 g/mol
LogP4.66
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 166355375) has the molecular formula C19H17BrCl2N2O2 and a molecular weight of 456.17 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
PubChem CID166355375
Molecular FormulaC19H17BrCl2N2O2
Molecular Weight456.17 g/mol
Exact Mass453.99
IUPAC Name(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Br
InChIInChI=1S/C19H17BrCl2N2O2/c1-12-2-3-13(10-16(12)20)18(25)23-6-8-24(9-7-23)19(26)15-5-4-14(21)11-17(15)22/h2-5,10-11H,6-9H2,1H3
InChIKeyMDJWJJPXCUBJIQ-UHFFFAOYSA-N
XLogP4.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.17
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
(3-bromo-4-methylphenyl)-piperidin-1-ylmethanone
CID 675721
1-[4-(3-bromo-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 79466924
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
[4-(aminomethyl)phenyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119281987
(3-bromo-4-methylphenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79458140
6-azaspiro[2.5]octan-6-yl-(3-bromo-4-methylphenyl)methanone
CID 167530654
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 108535373

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone (CID 166355375) is (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is MDJWJJPXCUBJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrCl2N2O2/c1-12-2-3-13(10-16(12)20)18(25)23-6-8-24(9-7-23)19(26)15-5-4-14(21)11-17(15)22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone?
(3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 456.17 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166355375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).