5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione

C23H15FN2O3 — CID 19166951

IUPAC5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H15FN2O3/c24-17-9-7-8-16(14-17)15-20-21(27)25(18-10-3-1-4-11-18)23(29)26(22(20)28)19-12-5-2-6-13-19/h1-15H
InChIKeyUHWYXCLGIQDEAW-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.41
Rot. Bonds3

About 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione

5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione (PubChem CID 19166951) has the molecular formula C23H15FN2O3 and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
PubChem CID19166951
Molecular FormulaC23H15FN2O3
Molecular Weight386.38 g/mol
Exact Mass386.11
IUPAC Name5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C23H15FN2O3/c24-17-9-7-8-16(14-17)15-20-21(27)25(18-10-3-1-4-11-18)23(29)26(22(20)28)19-12-5-2-6-13-19/h1-15H
InChIKeyUHWYXCLGIQDEAW-UHFFFAOYSA-N
XLogP4.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', '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 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione (CID 19166951) is 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione is O=C1C(=Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UHWYXCLGIQDEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN2O3/c24-17-9-7-8-16(14-17)15-20-21(27)25(18-10-3-1-4-11-18)23(29)26(22(20)28)19-12-5-2-6-13-19/h1-15H.
What are the key properties of 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione?
5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 386.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19166951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).