1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C15H18ClFN2O2 — CID 64964838

IUPAC1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN2O2/c1-4-12-14(20)18-13(8(2)3)15(21)19(12)9-5-6-10(16)11(17)7-9/h5-8,12-13H,4H2,1-3H3,(H,18,20)
InChIKeyVUEVFYRWNZDAFM-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64964838) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64964838
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H18ClFN2O2/c1-4-12-14(20)18-13(8(2)3)15(21)19(12)9-5-6-10(16)11(17)7-9/h5-8,12-13H,4H2,1-3H3,(H,18,20)
InChIKeyVUEVFYRWNZDAFM-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64964838) is 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is VUEVFYRWNZDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-4-12-14(20)18-13(8(2)3)15(21)19(12)9-5-6-10(16)11(17)7-9/h5-8,12-13H,4H2,1-3H3,(H,18,20).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 312.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64964838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).