3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione

C18H12F2N2O2 — CID 54193531

IUPAC3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]c(=Cc2ccc(F)cc2F)c(=O)[nH]c1=Cc1ccccc1
InChIInChI=1S/C18H12F2N2O2/c19-13-7-6-12(14(20)10-13)9-16-18(24)21-15(17(23)22-16)8-11-4-2-1-3-5-11/h1-10H,(H,21,24)(H,22,23)
InChIKeyPKEHRSDETSYFGR-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.00
Rot. Bonds2

About 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione

3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione (PubChem CID 54193531) has the molecular formula C18H12F2N2O2 and a molecular weight of 326.30 g/mol. Its IUPAC name is 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione
PubChem CID54193531
Molecular FormulaC18H12F2N2O2
Molecular Weight326.30 g/mol
Exact Mass326.09
IUPAC Name3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione
SMILESO=c1[nH]c(=Cc2ccc(F)cc2F)c(=O)[nH]c1=Cc1ccccc1
InChIInChI=1S/C18H12F2N2O2/c19-13-7-6-12(14(20)10-13)9-16-18(24)21-15(17(23)22-16)8-11-4-2-1-3-5-11/h1-10H,(H,21,24)(H,22,23)
InChIKeyPKEHRSDETSYFGR-UHFFFAOYSA-N
XLogP1.00
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione?
The IUPAC name of 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione (CID 54193531) is 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione is O=c1[nH]c(=Cc2ccc(F)cc2F)c(=O)[nH]c1=Cc1ccccc1.
What is the InChIKey of 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione?
The InChIKey is PKEHRSDETSYFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O2/c19-13-7-6-12(14(20)10-13)9-16-18(24)21-15(17(23)22-16)8-11-4-2-1-3-5-11/h1-10H,(H,21,24)(H,22,23).
What are the key properties of 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione?
3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione has a molecular weight of 326.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-6-[(2,4-difluorophenyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 54193531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).