5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide

C10H13Br2NO2 — CID 114316711

IUPAC5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
SMILESCC(CCBr)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13Br2NO2/c1-7(4-5-11)6-13-10(14)8-2-3-9(12)15-8/h2-3,7H,4-6H2,1H3,(H,13,14)
InChIKeyLSMCKPGYHNLTKA-UHFFFAOYSA-N
MW339.03 g/mol
LogP3.19
Rot. Bonds5

About 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide

5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide (PubChem CID 114316711) has the molecular formula C10H13Br2NO2 and a molecular weight of 339.03 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
PubChem CID114316711
Molecular FormulaC10H13Br2NO2
Molecular Weight339.03 g/mol
Exact Mass336.93
IUPAC Name5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide
SMILESCC(CCBr)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13Br2NO2/c1-7(4-5-11)6-13-10(14)8-2-3-9(12)15-8/h2-3,7H,4-6H2,1H3,(H,13,14)
InChIKeyLSMCKPGYHNLTKA-UHFFFAOYSA-N
XLogP3.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[2-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 55834377
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide (CID 114316711) is 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide is CC(CCBr)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide?
The InChIKey is LSMCKPGYHNLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2/c1-7(4-5-11)6-13-10(14)8-2-3-9(12)15-8/h2-3,7H,4-6H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide?
5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide has a molecular weight of 339.03 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 114316711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).