1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione

C13H14ClFN2O2 — CID 64963269

IUPAC1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFN2O2/c1-3-10-12(18)16-7(2)13(19)17(10)11-6-8(14)4-5-9(11)15/h4-7,10H,3H2,1-2H3,(H,16,18)
InChIKeyDHCJUAIVEQMLIB-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione

1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64963269) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64963269
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1c1cc(Cl)ccc1F
InChIInChI=1S/C13H14ClFN2O2/c1-3-10-12(18)16-7(2)13(19)17(10)11-6-8(14)4-5-9(11)15/h4-7,10H,3H2,1-2H3,(H,16,18)
InChIKeyDHCJUAIVEQMLIB-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961373
1-(5-bromo-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961128
6-ethyl-1-(2-fluoro-4-methylphenyl)-3-methylpiperazine-2,5-dione
CID 64960027
6-ethyl-3-methyl-1-(2,3,5-trifluorophenyl)piperazine-2,5-dione
CID 64969738
1-(2,3-difluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64963920
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
1-(2-bromo-4-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64962967
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64965324
1-(5-chloro-2-methylphenyl)-3,6-diethylpiperazine-2,5-dione
CID 64961428
1-(2,5-dichlorophenyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64961750
1-(3-chloro-4-methylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64961652
1-(2-fluoro-5-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64960007

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione (CID 64963269) is 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is DHCJUAIVEQMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-3-10-12(18)16-7(2)13(19)17(10)11-6-8(14)4-5-9(11)15/h4-7,10H,3H2,1-2H3,(H,16,18).
What are the key properties of 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione?
1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 284.72 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).