5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide

C14H16BrNO4 — CID 71990743

IUPAC5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccc(Br)o2)c(C)o1
InChIInChI=1S/C14H16BrNO4/c1-8-6-10(9(2)19-8)14(3,18)7-16-13(17)11-4-5-12(15)20-11/h4-6,18H,7H2,1-3H3,(H,16,17)
InChIKeyDWNIPXHWULXPOF-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.89
Rot. Bonds4

About 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide

5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide (PubChem CID 71990743) has the molecular formula C14H16BrNO4 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
PubChem CID71990743
Molecular FormulaC14H16BrNO4
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC Name5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccc(Br)o2)c(C)o1
InChIInChI=1S/C14H16BrNO4/c1-8-6-10(9(2)19-8)14(3,18)7-16-13(17)11-4-5-12(15)20-11/h4-6,18H,7H2,1-3H3,(H,16,17)
InChIKeyDWNIPXHWULXPOF-UHFFFAOYSA-N
XLogP2.89
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.89
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-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide (CID 71990743) is 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2ccc(Br)o2)c(C)o1.
What is the InChIKey of 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide?
The InChIKey is DWNIPXHWULXPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO4/c1-8-6-10(9(2)19-8)14(3,18)7-16-13(17)11-4-5-12(15)20-11/h4-6,18H,7H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide?
5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide has a molecular weight of 342.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide is sourced from PubChem (CID 71990743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).