(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione

C23H16F2N2O3 — CID 1018252

IUPAC(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C23H16F2N2O3/c24-17-8-10-18(11-9-17)27-23(29)20(22(28)26-27)13-15-4-3-6-19(12-15)30-14-16-5-1-2-7-21(16)25/h1-13H,14H2,(H,26,28)/b20-13-
InChIKeyOPNOKMCPQWTTTB-MOSHPQCFSA-N
MW406.39 g/mol
LogP4.01
Rot. Bonds5

About (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione

(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione (PubChem CID 1018252) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione
PubChem CID1018252
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione
SMILESO=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C23H16F2N2O3/c24-17-8-10-18(11-9-17)27-23(29)20(22(28)26-27)13-15-4-3-6-19(12-15)30-14-16-5-1-2-7-21(16)25/h1-13H,14H2,(H,26,28)/b20-13-
InChIKeyOPNOKMCPQWTTTB-MOSHPQCFSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_D(46)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione?
The IUPAC name of (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione (CID 1018252) is (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione is O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1.
What is the InChIKey of (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione?
The InChIKey is OPNOKMCPQWTTTB-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c24-17-8-10-18(11-9-17)27-23(29)20(22(28)26-27)13-15-4-3-6-19(12-15)30-14-16-5-1-2-7-21(16)25/h1-13H,14H2,(H,26,28)/b20-13-.
What are the key properties of (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione?
(4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione has a molecular weight of 406.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(4-fluorophenyl)-4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylidene]pyrazolidine-3,5-dione is sourced from PubChem (CID 1018252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).