N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide

C21H15F2N3OSe — CID 56941814

IUPACN-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2F)[se]1
InChIInChI=1S/C21H15F2N3OSe/c1-26-18(12-17(25-26)13-6-2-3-7-14(13)22)19-10-11-20(28-19)21(27)24-16-9-5-4-8-15(16)23/h2-12H,1H3,(H,24,27)
InChIKeyKETZTTZRNCTRAG-UHFFFAOYSA-N
MW442.33 g/mol
LogP4.34
Rot. Bonds4

About N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide

N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide (PubChem CID 56941814) has the molecular formula C21H15F2N3OSe and a molecular weight of 442.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
PubChem CID56941814
Molecular FormulaC21H15F2N3OSe
Molecular Weight442.33 g/mol
Exact Mass443.03
IUPAC NameN-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2F)[se]1
InChIInChI=1S/C21H15F2N3OSe/c1-26-18(12-17(25-26)13-6-2-3-7-14(13)22)19-10-11-20(28-19)21(27)24-16-9-5-4-8-15(16)23/h2-12H,1H3,(H,24,27)
InChIKeyKETZTTZRNCTRAG-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide (CID 56941814) is N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2F)[se]1.
What is the InChIKey of N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
The InChIKey is KETZTTZRNCTRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OSe/c1-26-18(12-17(25-26)13-6-2-3-7-14(13)22)19-10-11-20(28-19)21(27)24-16-9-5-4-8-15(16)23/h2-12H,1H3,(H,24,27).
What are the key properties of N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide?
N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide has a molecular weight of 442.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]selenophene-2-carboxamide is sourced from PubChem (CID 56941814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).