5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide

C11H15Br2NO2 — CID 114315141

IUPAC5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H15Br2NO2/c1-3-11(4-2,7-12)14-10(15)8-5-6-9(13)16-8/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySYTWJXRHDNJVRA-UHFFFAOYSA-N
MW353.05 g/mol
LogP3.73
Rot. Bonds5

About 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide

5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide (PubChem CID 114315141) has the molecular formula C11H15Br2NO2 and a molecular weight of 353.05 g/mol. Its IUPAC name is 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
PubChem CID114315141
Molecular FormulaC11H15Br2NO2
Molecular Weight353.05 g/mol
Exact Mass350.95
IUPAC Name5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H15Br2NO2/c1-3-11(4-2,7-12)14-10(15)8-5-6-9(13)16-8/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySYTWJXRHDNJVRA-UHFFFAOYSA-N
XLogP3.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.05
LogP ≤ 53.73
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-cyanopentan-3-yl)furan-2-carboxamide
CID 55139521
N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315324
5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
N-[1-chloro-2-(chloromethyl)butan-2-yl]-5-methylfuran-2-carboxamide
CID 107867537
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 166201185
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-methylbenzamide
CID 113275775
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-fluorobenzamide
CID 114020482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide (CID 114315141) is 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide is CCC(CC)(CBr)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
The InChIKey is SYTWJXRHDNJVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2/c1-3-11(4-2,7-12)14-10(15)8-5-6-9(13)16-8/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide?
5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide has a molecular weight of 353.05 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 114315141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).