2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide

C8H7Br2F3N4O — CID 114074174

IUPAC2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ncc(Br)nc1Br)C(F)(F)F
InChIInChI=1S/C8H7Br2F3N4O/c1-7(14,8(11,12)13)6(18)17-5-4(10)16-3(9)2-15-5/h2H,14H2,1H3,(H,15,17,18)
InChIKeyRIEFBYCLUFNRHF-UHFFFAOYSA-N
MW391.97 g/mol
LogP2.22
Rot. Bonds2

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

2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 114074174) has the molecular formula C8H7Br2F3N4O and a molecular weight of 391.97 g/mol. Its IUPAC name is 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID114074174
Molecular FormulaC8H7Br2F3N4O
Molecular Weight391.97 g/mol
Exact Mass389.89
IUPAC Name2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ncc(Br)nc1Br)C(F)(F)F
InChIInChI=1S/C8H7Br2F3N4O/c1-7(14,8(11,12)13)6(18)17-5-4(10)16-3(9)2-15-5/h2H,14H2,1H3,(H,15,17,18)
InChIKeyRIEFBYCLUFNRHF-UHFFFAOYSA-N
XLogP2.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 114074174) is 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1ncc(Br)nc1Br)C(F)(F)F.
What is the InChIKey of 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is RIEFBYCLUFNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F3N4O/c1-7(14,8(11,12)13)6(18)17-5-4(10)16-3(9)2-15-5/h2H,14H2,1H3,(H,15,17,18).
What are the key properties of 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 391.97 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dibromopyrazin-2-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 114074174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).