5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide

C10H14BrNO3 — CID 47431973

IUPAC5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
SMILESCOCC(C)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-7(6-14-2)5-12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyXTIFRLWAPXECSB-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.05
Rot. Bonds5

About 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide

5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide (PubChem CID 47431973) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
PubChem CID47431973
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
SMILESCOCC(C)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-7(6-14-2)5-12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyXTIFRLWAPXECSB-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
CID 114316711
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
CID 65396615
1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
CID 115807303
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide (CID 47431973) is 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide is COCC(C)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide?
The InChIKey is XTIFRLWAPXECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-7(6-14-2)5-12-10(13)8-3-4-9(11)15-8/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide?
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide has a molecular weight of 276.13 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 47431973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).