5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide

C9H8BrF3N2O3 — CID 7601337

IUPAC5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O3/c10-6-2-1-5(18-6)8(17)14-3-7(16)15-4-9(11,12)13/h1-2H,3-4H2,(H,14,17)(H,15,16)
InChIKeyNAAHKMZUHUOHRD-UHFFFAOYSA-N
MW329.07 g/mol
LogP1.45
Rot. Bonds4

About 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide (PubChem CID 7601337) has the molecular formula C9H8BrF3N2O3 and a molecular weight of 329.07 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide
PubChem CID7601337
Molecular FormulaC9H8BrF3N2O3
Molecular Weight329.07 g/mol
Exact Mass327.97
IUPAC Name5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O3/c10-6-2-1-5(18-6)8(17)14-3-7(16)15-4-9(11,12)13/h1-2H,3-4H2,(H,14,17)(H,15,16)
InChIKeyNAAHKMZUHUOHRD-UHFFFAOYSA-N
XLogP1.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.07
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide (CID 7601337) is 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCC(F)(F)F.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide?
The InChIKey is NAAHKMZUHUOHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O3/c10-6-2-1-5(18-6)8(17)14-3-7(16)15-4-9(11,12)13/h1-2H,3-4H2,(H,14,17)(H,15,16).
What are the key properties of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide has a molecular weight of 329.07 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 7601337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).