3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide

C18H14FN3O3 — CID 53118462

IUPAC3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide
SMILESCOc1ccc(-n2ccnc(NC(=O)c3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C18H14FN3O3/c1-25-15-7-5-14(6-8-15)22-10-9-20-16(18(22)24)21-17(23)12-3-2-4-13(19)11-12/h2-11H,1H3,(H,20,21,23)
InChIKeyWNQDCHOPSKUFRW-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.63
Rot. Bonds4

About 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide

3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide (PubChem CID 53118462) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide
PubChem CID53118462
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide
SMILESCOc1ccc(-n2ccnc(NC(=O)c3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C18H14FN3O3/c1-25-15-7-5-14(6-8-15)22-10-9-20-16(18(22)24)21-17(23)12-3-2-4-13(19)11-12/h2-11H,1H3,(H,20,21,23)
InChIKeyWNQDCHOPSKUFRW-UHFFFAOYSA-N
XLogP2.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide (CID 53118462) is 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide is COc1ccc(-n2ccnc(NC(=O)c3cccc(F)c3)c2=O)cc1.
What is the InChIKey of 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
The InChIKey is WNQDCHOPSKUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-25-15-7-5-14(6-8-15)22-10-9-20-16(18(22)24)21-17(23)12-3-2-4-13(19)11-12/h2-11H,1H3,(H,20,21,23).
What are the key properties of 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide?
3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide has a molecular weight of 339.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]benzamide is sourced from PubChem (CID 53118462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).