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

C18H16BrFN2O2 — CID 110365249

IUPAC(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H16BrFN2O2/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)20/h1-8H,9-12H2
InChIKeyYNXDGGLOWMZPMU-UHFFFAOYSA-N
MW391.24 g/mol
LogP3.19
Rot. Bonds2

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

(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 110365249) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID110365249
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H16BrFN2O2/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)20/h1-8H,9-12H2
InChIKeyYNXDGGLOWMZPMU-UHFFFAOYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
[4-(2-fluorobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 579725
(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 154840193
2-(4-bromophenyl)-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 78849849
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
[4-(aminomethyl)phenyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119282152
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
(3-chloro-4-hydroxyphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 33463726
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 78850018
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone (CID 110365249) is (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is YNXDGGLOWMZPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c19-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)20/h1-8H,9-12H2.
What are the key properties of (4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone?
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 391.24 g/mol, XLogP of 3.19, 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-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110365249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).