1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione

C11H10ClFN2O2 — CID 64965226

IUPAC1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O2/c1-6-11(17)14-5-10(16)15(6)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,17)
InChIKeyHSYJRENKVLBLPI-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.33
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione

1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64965226) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
PubChem CID64965226
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2O2/c1-6-11(17)14-5-10(16)15(6)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,17)
InChIKeyHSYJRENKVLBLPI-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-6-methylpiperazine-2,5-dione
CID 64957933
1-(2-bromo-4-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64962977
1-(2-chloro-5-methoxyphenyl)-6-methylpiperazine-2,5-dione
CID 64967084
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64965252
3-butan-2-yl-1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64965250
1-(4-bromo-2-fluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64962250
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64965324
6-ethyl-1-(2,4,5-trifluorophenyl)piperazine-2,5-dione
CID 64969761
1-(4-chloro-2-fluorophenyl)-3,6-diethylpiperazine-2,5-dione
CID 64965262
6-methyl-1-(1-methylpyrazol-3-yl)piperazine-2,5-dione
CID 79786543
1-(2-fluoro-4-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64959980
1-(3-bromo-5-methylphenyl)-6-methylpiperazine-2,5-dione
CID 107580277

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione (CID 64965226) is 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione is CC1C(=O)NCC(=O)N1c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is HSYJRENKVLBLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-6-11(17)14-5-10(16)15(6)9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,14,17).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione?
1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 256.66 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64965226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).