1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione

C13H14BrFN2O2 — CID 64962250

IUPAC1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1c1ccc(Br)cc1F
InChIInChI=1S/C13H14BrFN2O2/c1-7(2)12-13(19)16-6-11(18)17(12)10-4-3-8(14)5-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,19)
InChIKeySNKVZZQUMKCIKE-UHFFFAOYSA-N
MW329.17 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione

1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64962250) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64962250
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1c1ccc(Br)cc1F
InChIInChI=1S/C13H14BrFN2O2/c1-7(2)12-13(19)16-6-11(18)17(12)10-4-3-8(14)5-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,19)
InChIKeySNKVZZQUMKCIKE-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
1-[(4-bromo-2-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879480
1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64961530
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957933
1-[1-(4-bromophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965368
1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965226
1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671
1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777988
1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64962977
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64957110
6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969761

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64962250) is 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is SNKVZZQUMKCIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-7(2)12-13(19)16-6-11(18)17(12)10-4-3-8(14)5-9(10)15/h3-5,7,12H,6H2,1-2H3,(H,16,19).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione?
1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 329.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64962250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).