5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide

C13H14BrNO3 — CID 47442995

IUPAC5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(Br)o2)c(C)o1
InChIInChI=1S/C13H14BrNO3/c1-7-6-10(9(3)17-7)8(2)15-13(16)11-4-5-12(14)18-11/h4-6,8H,1-3H3,(H,15,16)
InChIKeyCYROVCUYXHFNIS-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.74
Rot. Bonds3

About 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide (PubChem CID 47442995) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
PubChem CID47442995
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(Br)o2)c(C)o1
InChIInChI=1S/C13H14BrNO3/c1-7-6-10(9(3)17-7)8(2)15-13(16)11-4-5-12(14)18-11/h4-6,8H,1-3H3,(H,15,16)
InChIKeyCYROVCUYXHFNIS-UHFFFAOYSA-N
XLogP3.74
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 55257306
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide (CID 47442995) is 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide is Cc1cc(C(C)NC(=O)c2ccc(Br)o2)c(C)o1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is CYROVCUYXHFNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c1-7-6-10(9(3)17-7)8(2)15-13(16)11-4-5-12(14)18-11/h4-6,8H,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 47442995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).