1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione

C15H16ClFN2O2 — CID 64965324

IUPAC1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2O2/c1-2-11-14(20)18-13(8-3-4-8)15(21)19(11)12-6-5-9(16)7-10(12)17/h5-8,11,13H,2-4H2,1H3,(H,18,20)
InChIKeyZLUQGPLYEZWEIV-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione

1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione (PubChem CID 64965324) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
PubChem CID64965324
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C15H16ClFN2O2/c1-2-11-14(20)18-13(8-3-4-8)15(21)19(11)12-6-5-9(16)7-10(12)17/h5-8,11,13H,2-4H2,1H3,(H,18,20)
InChIKeyZLUQGPLYEZWEIV-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione (CID 64965324) is 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The InChIKey is ZLUQGPLYEZWEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-2-11-14(20)18-13(8-3-4-8)15(21)19(11)12-6-5-9(16)7-10(12)17/h5-8,11,13H,2-4H2,1H3,(H,18,20).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
1-(4-chloro-2-fluorophenyl)-3-cyclopropyl-6-ethylpiperazine-2,5-dione has a molecular weight of 310.76 g/mol, XLogP of 2.50, 3 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)-3-cyclopropyl-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64965324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).