(4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

C16H11FN2O2 — CID 5395420

IUPAC(4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(F)c1
InChIInChI=1S/C16H11FN2O2/c17-12-6-4-5-11(9-12)10-14-15(20)18-19(16(14)21)13-7-2-1-3-8-13/h1-10H,(H,18,20)/b14-10-
InChIKeyUXEHGODNSYFXAI-UVTDQMKNSA-N
MW282.27 g/mol
LogP2.29
Rot. Bonds2

About (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione

(4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (PubChem CID 5395420) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.

Molecular Properties

Compound Name(4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
PubChem CID5395420
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name(4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SMILESO=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(F)c1
InChIInChI=1S/C16H11FN2O2/c17-12-6-4-5-11(9-12)10-14-15(20)18-19(16(14)21)13-7-2-1-3-8-13/h1-10H,(H,18,20)/b14-10-
InChIKeyUXEHGODNSYFXAI-UVTDQMKNSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(4Z)-1-(4-fluorophenyl)-4-[(3-hydroxyphenyl)methylidene]pyrazolidine-3,5-dione
CID 839801
4-benzylidene-1-(3-chlorophenyl)pyrazolidine-3,5-dione
CID 3100876
4-[(4-methylsulfanylphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 4022647
(4Z)-4-[(3-ethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126414045
(4Z)-4-[(4-hydroxy-3-iodophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126404338
(4Z)-4-[(3-chloro-4-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 126409887
(4Z)-4-benzylidene-1-(4-chlorophenyl)pyrazolidine-3,5-dione
CID 834076
5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 19166951
(4Z)-4-[[4-[(3-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 124553411
(4E)-4-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
CID 2248290
4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]benzoate
CID 7321307
4-[(2-chloro-6-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 74696440

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The IUPAC name of (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione (CID 5395420) is (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.
What is the SMILES notation for (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The canonical SMILES for (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(F)c1.
What is the InChIKey of (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
The InChIKey is UXEHGODNSYFXAI-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-12-6-4-5-11(9-12)10-14-15(20)18-19(16(14)21)13-7-2-1-3-8-13/h1-10H,(H,18,20)/b14-10-.
What are the key properties of (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione?
(4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione has a molecular weight of 282.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(3-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione is sourced from PubChem (CID 5395420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).