1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione

C11H10BrFN2O2 — CID 66063422

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2O2/c12-8-1-2-9(13)7(3-8)6-15-10(16)4-14-5-11(15)17/h1-3,14H,4-6H2
InChIKeyMXPLEGNEVPYZBU-UHFFFAOYSA-N
MW301.12 g/mol
LogP1.05
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione

1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione (PubChem CID 66063422) has the molecular formula C11H10BrFN2O2 and a molecular weight of 301.12 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
PubChem CID66063422
Molecular FormulaC11H10BrFN2O2
Molecular Weight301.12 g/mol
Exact Mass299.99
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1Cc1cc(Br)ccc1F
InChIInChI=1S/C11H10BrFN2O2/c12-8-1-2-9(13)7(3-8)6-15-10(16)4-14-5-11(15)17/h1-3,14H,4-6H2
InChIKeyMXPLEGNEVPYZBU-UHFFFAOYSA-N
XLogP1.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.12
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(3,4-difluorophenyl)methyl]piperazine-2,6-dione
CID 82929589
1-[(3-chloro-4-fluorophenyl)methyl]piperazine-2,6-dione
CID 103040926
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880150
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255070
1-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 63812366
4-[(5-bromo-2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410570
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-[(5-bromo-2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62875502

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione (CID 66063422) is 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione is O=C1CNCC(=O)N1Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione?
The InChIKey is MXPLEGNEVPYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2/c12-8-1-2-9(13)7(3-8)6-15-10(16)4-14-5-11(15)17/h1-3,14H,4-6H2.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione?
1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione has a molecular weight of 301.12 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 66063422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).