1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione

C13H13BrClFN2O2 — CID 107617423

IUPAC1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2c(Cl)cc(F)cc2Br)C1=O
InChIInChI=1S/C13H13BrClFN2O2/c1-2-3-10-13(20)18(6-11(19)17-10)12-8(14)4-7(16)5-9(12)15/h4-5,10H,2-3,6H2,1H3,(H,17,19)
InChIKeyCAEPDJGGKSTJJH-UHFFFAOYSA-N
MW363.61 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione

1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione (PubChem CID 107617423) has the molecular formula C13H13BrClFN2O2 and a molecular weight of 363.61 g/mol. Its IUPAC name is 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
PubChem CID107617423
Molecular FormulaC13H13BrClFN2O2
Molecular Weight363.61 g/mol
Exact Mass361.98
IUPAC Name1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2c(Cl)cc(F)cc2Br)C1=O
InChIInChI=1S/C13H13BrClFN2O2/c1-2-3-10-13(20)18(6-11(19)17-10)12-8(14)4-7(16)5-9(12)15/h4-5,10H,2-3,6H2,1H3,(H,17,19)
InChIKeyCAEPDJGGKSTJJH-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.61
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylpiperazine-2,5-dione
CID 107594321
1-(5-bromo-2-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64961022
1-(2,4-difluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957820
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959948
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
CID 107623446
1-(2-chloro-4,6-difluorophenyl)-3-ethyl-1,4-diazepane-2,5-dione
CID 83082896
1-(2-bromo-6-chloro-4-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 107617399
1-(2-bromo-5-chloro-4-methylphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 104725412
1-(5-bromo-2,4-difluorophenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 102855276

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione (CID 107617423) is 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2c(Cl)cc(F)cc2Br)C1=O.
What is the InChIKey of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is CAEPDJGGKSTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN2O2/c1-2-3-10-13(20)18(6-11(19)17-10)12-8(14)4-7(16)5-9(12)15/h4-5,10H,2-3,6H2,1H3,(H,17,19).
What are the key properties of 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione?
1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 363.61 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 107617423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).