4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione

C15H12FN3O2 — CID 4789831

IUPAC4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2ccccc2)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H12FN3O2/c16-13-9-5-4-6-11(13)10-18-14(20)17-19(15(18)21)12-7-2-1-3-8-12/h1-9H,10H2,(H,17,20)
InChIKeyAGDXPDASFAWIOX-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.51
Rot. Bonds3

About 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione

4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 4789831) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID4789831
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1[nH]n(-c2ccccc2)c(=O)n1Cc1ccccc1F
InChIInChI=1S/C15H12FN3O2/c16-13-9-5-4-6-11(13)10-18-14(20)17-19(15(18)21)12-7-2-1-3-8-12/h1-9H,10H2,(H,17,20)
InChIKeyAGDXPDASFAWIOX-UHFFFAOYSA-N
XLogP1.51
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ccg-50014
CID 2733079
1-(4-fluorobenzyl)-3-(4-fluorophenyl)tetrahydro-2H-imidazol-2-one
CID 4205196
4-[(4-Fluorophenyl)methyl]-2-(3-methylphenyl)-1,2,4-thiadiazolidine-3,5-dione
CID 25125122
4-Benzyl-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 70681821
4-[(4-Fluorophenyl)methyl]-2-phenyl-1,2,4-thiadiazolidine-3,5-dione
CID 70694433
2-(4-Methylphenyl)-3-oxo-1,2,4,8-tetraazaspiro[4.5]decane-8-carboxamide
CID 1476718
Bicarbamimide, N,2-diphenyl-
CID 169646
Bicarbamimide, 2-methyl-3-p-tolyl-
CID 215068
Bicarbamimide, 2-cyclohexyl-3-p-tolyl-
CID 215081
Bicarbamimide, 2-alpha-methylbenzyl-3-phenyl-
CID 215084
Bicarbamimide, 2-(diphenylmethyl)-3-phenyl-
CID 215086
Bicarbamimide, 2-(alpha-methylphenethyl)-3-phenyl-
CID 24835732

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione (CID 4789831) is 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione is O=c1[nH]n(-c2ccccc2)c(=O)n1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is AGDXPDASFAWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-13-9-5-4-6-11(13)10-18-14(20)17-19(15(18)21)12-7-2-1-3-8-12/h1-9H,10H2,(H,17,20).
What are the key properties of 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione?
4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 285.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 4789831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).