2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide

C23H16F2N4O3 — CID 42835694

IUPAC2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C23H16F2N4O3/c24-17-11-5-4-8-15(17)14-28-22(31)20(21(30)26-16-9-2-1-3-10-16)27-29(23(28)32)19-13-7-6-12-18(19)25/h1-13H,14H2,(H,26,30)
InChIKeyUSSPXKFLEYMSEV-UHFFFAOYSA-N
MW434.40 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide

2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide (PubChem CID 42835694) has the molecular formula C23H16F2N4O3 and a molecular weight of 434.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
PubChem CID42835694
Molecular FormulaC23H16F2N4O3
Molecular Weight434.40 g/mol
Exact Mass434.12
IUPAC Name2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C23H16F2N4O3/c24-17-11-5-4-8-15(17)14-28-22(31)20(21(30)26-16-9-2-1-3-10-16)27-29(23(28)32)19-13-7-6-12-18(19)25/h1-13H,14H2,(H,26,30)
InChIKeyUSSPXKFLEYMSEV-UHFFFAOYSA-N
XLogP2.97
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide (CID 42835694) is 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2F)c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide?
The InChIKey is USSPXKFLEYMSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O3/c24-17-11-5-4-8-15(17)14-28-22(31)20(21(30)26-16-9-2-1-3-10-16)27-29(23(28)32)19-13-7-6-12-18(19)25/h1-13H,14H2,(H,26,30).
What are the key properties of 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide?
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-phenyl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 42835694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).