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

C17H11F2N3O2 — CID 53118375

IUPAC3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
SMILESO=C(Nc1nccn(-c2ccc(F)cc2)c1=O)c1cccc(F)c1
InChIInChI=1S/C17H11F2N3O2/c18-12-4-6-14(7-5-12)22-9-8-20-15(17(22)24)21-16(23)11-2-1-3-13(19)10-11/h1-10H,(H,20,21,23)
InChIKeyXUJHJKUDWNKCFZ-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.76
Rot. Bonds3

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

3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide (PubChem CID 53118375) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
PubChem CID53118375
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
SMILESO=C(Nc1nccn(-c2ccc(F)cc2)c1=O)c1cccc(F)c1
InChIInChI=1S/C17H11F2N3O2/c18-12-4-6-14(7-5-12)22-9-8-20-15(17(22)24)21-16(23)11-2-1-3-13(19)10-11/h1-10H,(H,20,21,23)
InChIKeyXUJHJKUDWNKCFZ-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]-3-methylbenzamide
CID 53118380
N-[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118362
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118361
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
N-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]furan-2-carboxamide
CID 53118353
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
methyl 4-(4-fluorophenyl)-3-oxopyrazine-2-carboxylate
CID 170694441
3-chloro-1-(4-fluorophenyl)pyrazin-2-one
CID 67221416
1-(4-fluorophenyl)-3-methylpyrazin-2-one
CID 163969360
3-fluoro-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17162617

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide (CID 53118375) is 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide is O=C(Nc1nccn(-c2ccc(F)cc2)c1=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
The InChIKey is XUJHJKUDWNKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-12-4-6-14(7-5-12)22-9-8-20-15(17(22)24)21-16(23)11-2-1-3-13(19)10-11/h1-10H,(H,20,21,23).
What are the key properties of 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide?
3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide has a molecular weight of 327.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]benzamide is sourced from PubChem (CID 53118375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).