N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide

C17H23Br2F3N4O2 — CID 87072200

IUPACN-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide
SMILESCC(C)(CN(C(=O)C(F)(F)F)c1ncc(Br)nc1Br)NCCC1CCOCC1
InChIInChI=1S/C17H23Br2F3N4O2/c1-16(2,24-6-3-11-4-7-28-8-5-11)10-26(15(27)17(20,21)22)14-13(19)25-12(18)9-23-14/h9,11,24H,3-8,10H2,1-2H3
InChIKeyQFKJCEKKPVHWRP-UHFFFAOYSA-N
MW532.20 g/mol
LogP4.08
Rot. Bonds7

About N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide

N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide (PubChem CID 87072200) has the molecular formula C17H23Br2F3N4O2 and a molecular weight of 532.20 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide
PubChem CID87072200
Molecular FormulaC17H23Br2F3N4O2
Molecular Weight532.20 g/mol
Exact Mass530.01
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide
SMILESCC(C)(CN(C(=O)C(F)(F)F)c1ncc(Br)nc1Br)NCCC1CCOCC1
InChIInChI=1S/C17H23Br2F3N4O2/c1-16(2,24-6-3-11-4-7-28-8-5-11)10-26(15(27)17(20,21)22)14-13(19)25-12(18)9-23-14/h9,11,24H,3-8,10H2,1-2H3
InChIKeyQFKJCEKKPVHWRP-UHFFFAOYSA-N
XLogP4.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide (CID 87072200) is N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide is CC(C)(CN(C(=O)C(F)(F)F)c1ncc(Br)nc1Br)NCCC1CCOCC1.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide?
The InChIKey is QFKJCEKKPVHWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Br2F3N4O2/c1-16(2,24-6-3-11-4-7-28-8-5-11)10-26(15(27)17(20,21)22)14-13(19)25-12(18)9-23-14/h9,11,24H,3-8,10H2,1-2H3.
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide?
N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide has a molecular weight of 532.20 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-2,2,2-trifluoro-N-[2-methyl-2-[2-(oxan-4-yl)ethylamino]propyl]acetamide is sourced from PubChem (CID 87072200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).