N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

C23H16F2N4O2 — CID 177373853

IUPACN-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H16F2N4O2/c24-17-11-12-19(18(25)13-17)26-20(30)14-29-23(31)27-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13H,14H2,(H,26,30)
InChIKeyWNNYXKZYAUWGQX-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.89
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 177373853) has the molecular formula C23H16F2N4O2 and a molecular weight of 418.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID177373853
Molecular FormulaC23H16F2N4O2
Molecular Weight418.40 g/mol
Exact Mass418.12
IUPAC NameN-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H16F2N4O2/c24-17-11-12-19(18(25)13-17)26-20(30)14-29-23(31)27-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13H,14H2,(H,26,30)
InChIKeyWNNYXKZYAUWGQX-UHFFFAOYSA-N
XLogP3.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (CID 177373853) is N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is WNNYXKZYAUWGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2/c24-17-11-12-19(18(25)13-17)26-20(30)14-29-23(31)27-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13H,14H2,(H,26,30).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 418.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 177373853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).