1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone

C19H18BrFN2O2 — CID 1239154

IUPAC1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1
InChIInChI=1S/C19H18BrFN2O2/c1-13(24)15-4-7-18(17(21)12-15)22-8-10-23(11-9-22)19(25)14-2-5-16(20)6-3-14/h2-7,12H,8-11H2,1H3
InChIKeyYPGBCTHYJSFDGP-UHFFFAOYSA-N
MW405.27 g/mol
LogP3.75
Rot. Bonds3

About 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone

1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone (PubChem CID 1239154) has the molecular formula C19H18BrFN2O2 and a molecular weight of 405.27 g/mol. Its IUPAC name is 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
PubChem CID1239154
Molecular FormulaC19H18BrFN2O2
Molecular Weight405.27 g/mol
Exact Mass404.05
IUPAC Name1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1
InChIInChI=1S/C19H18BrFN2O2/c1-13(24)15-4-7-18(17(21)12-15)22-8-10-23(11-9-22)19(25)14-2-5-16(20)6-3-14/h2-7,12H,8-11H2,1H3
InChIKeyYPGBCTHYJSFDGP-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone (CID 1239154) is 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1.
What is the InChIKey of 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
The InChIKey is YPGBCTHYJSFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O2/c1-13(24)15-4-7-18(17(21)12-15)22-8-10-23(11-9-22)19(25)14-2-5-16(20)6-3-14/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone?
1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone has a molecular weight of 405.27 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone is sourced from PubChem (CID 1239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).