5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide

C10H14BrNO3 — CID 47903591

IUPAC5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
SMILESCCOCC(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-3-14-6-7(2)12-10(13)8-4-5-9(11)15-8/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyFKVQYZSJNAJNJR-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.20
Rot. Bonds5

About 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide

5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide (PubChem CID 47903591) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
PubChem CID47903591
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
SMILESCCOCC(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-3-14-6-7(2)12-10(13)8-4-5-9(11)15-8/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyFKVQYZSJNAJNJR-UHFFFAOYSA-N
XLogP2.20
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870
5-bromo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38608481
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide (CID 47903591) is 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide is CCOCC(C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide?
The InChIKey is FKVQYZSJNAJNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-3-14-6-7(2)12-10(13)8-4-5-9(11)15-8/h4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide?
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 47903591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).