5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide

C12H15BrN2O4 — CID 2977240

IUPAC5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC1CCCO1
InChIInChI=1S/C12H15BrN2O4/c13-10-4-3-9(19-10)12(17)15-7-11(16)14-6-8-2-1-5-18-8/h3-4,8H,1-2,5-7H2,(H,14,16)(H,15,17)
InChIKeyCGJJQFXGOPPTKF-UHFFFAOYSA-N
MW331.17 g/mol
LogP1.07
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide (PubChem CID 2977240) has the molecular formula C12H15BrN2O4 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide
PubChem CID2977240
Molecular FormulaC12H15BrN2O4
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCC1CCCO1
InChIInChI=1S/C12H15BrN2O4/c13-10-4-3-9(19-10)12(17)15-7-11(16)14-6-8-2-1-5-18-8/h3-4,8H,1-2,5-7H2,(H,14,16)(H,15,17)
InChIKeyCGJJQFXGOPPTKF-UHFFFAOYSA-N
XLogP1.07
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide (CID 2977240) is 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCC1CCCO1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
The InChIKey is CGJJQFXGOPPTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4/c13-10-4-3-9(19-10)12(17)15-7-11(16)14-6-8-2-1-5-18-8/h3-4,8H,1-2,5-7H2,(H,14,16)(H,15,17).
What are the key properties of 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide has a molecular weight of 331.17 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2977240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).