1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione

C14H15BrF2N2O2 — CID 102855290

IUPAC1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(c2cc(Br)c(F)cc2F)C1=O
InChIInChI=1S/C14H15BrF2N2O2/c1-7(2)3-11-14(21)19(6-13(20)18-11)12-4-8(15)9(16)5-10(12)17/h4-5,7,11H,3,6H2,1-2H3,(H,18,20)
InChIKeyQQUGJMDZWLFKJW-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.60
Rot. Bonds3

About 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 102855290) has the molecular formula C14H15BrF2N2O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID102855290
Molecular FormulaC14H15BrF2N2O2
Molecular Weight361.19 g/mol
Exact Mass360.03
IUPAC Name1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(c2cc(Br)c(F)cc2F)C1=O
InChIInChI=1S/C14H15BrF2N2O2/c1-7(2)3-11-14(21)19(6-13(20)18-11)12-4-8(15)9(16)5-10(12)17/h4-5,7,11H,3,6H2,1-2H3,(H,18,20)
InChIKeyQQUGJMDZWLFKJW-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 103587706
1-(2-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962057
1-(3-bromo-4-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64970831
1-(3-fluoro-2-methylphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967241
1-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64966541
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276
3-(2-methylpropyl)-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962082
1-(5-chloro-2-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961848
1-(3-fluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956077
1-(3-bromo-5-methoxyphenyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82860332
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperazine-2,5-dione
CID 107594316

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 102855290) is 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(c2cc(Br)c(F)cc2F)C1=O.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is QQUGJMDZWLFKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2O2/c1-7(2)3-11-14(21)19(6-13(20)18-11)12-4-8(15)9(16)5-10(12)17/h4-5,7,11H,3,6H2,1-2H3,(H,18,20).
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 361.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 102855290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).