(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone

C19H18BrFN2O2 — CID 154840193

IUPAC(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1
InChIInChI=1S/C19H18BrFN2O2/c1-13-2-7-16(17(21)12-13)19(25)23-10-8-22(9-11-23)18(24)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3
InChIKeyDOOYQHZHJMCAET-UHFFFAOYSA-N
MW405.27 g/mol
LogP3.49
Rot. Bonds2

About (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone

(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone (PubChem CID 154840193) has the molecular formula C19H18BrFN2O2 and a molecular weight of 405.27 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
PubChem CID154840193
Molecular FormulaC19H18BrFN2O2
Molecular Weight405.27 g/mol
Exact Mass404.05
IUPAC Name(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1
InChIInChI=1S/C19H18BrFN2O2/c1-13-2-7-16(17(21)12-13)19(25)23-10-8-22(9-11-23)18(24)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3
InChIKeyDOOYQHZHJMCAET-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249
methyl 4-(2-fluoro-4-methylbenzoyl)piperazine-1-carboxylate
CID 79777957
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264
(4-bromophenyl)-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 58484623
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 58484600
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone (CID 154840193) is (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1.
What is the InChIKey of (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is DOOYQHZHJMCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O2/c1-13-2-7-16(17(21)12-13)19(25)23-10-8-22(9-11-23)18(24)14-3-5-15(20)6-4-14/h2-7,12H,8-11H2,1H3.
What are the key properties of (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 405.27 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 154840193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).