N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide

C8H8Br2FN3O — CID 130562152

IUPACN-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C8H8Br2FN3O/c1-8(2,11)7(15)14-6-5(10)13-4(9)3-12-6/h3H,1-2H3,(H,12,14,15)
InChIKeySFZMKXFCJJTPLJ-UHFFFAOYSA-N
MW340.98 g/mol
LogP2.69
Rot. Bonds2

About N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide

N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130562152) has the molecular formula C8H8Br2FN3O and a molecular weight of 340.98 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide
PubChem CID130562152
Molecular FormulaC8H8Br2FN3O
Molecular Weight340.98 g/mol
Exact Mass338.90
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1ncc(Br)nc1Br
InChIInChI=1S/C8H8Br2FN3O/c1-8(2,11)7(15)14-6-5(10)13-4(9)3-12-6/h3H,1-2H3,(H,12,14,15)
InChIKeySFZMKXFCJJTPLJ-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.98
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide (CID 130562152) is N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)Nc1ncc(Br)nc1Br.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is SFZMKXFCJJTPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2FN3O/c1-8(2,11)7(15)14-6-5(10)13-4(9)3-12-6/h3H,1-2H3,(H,12,14,15).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 340.98 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130562152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).