5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide

C11H13BrN2O2 — CID 55139521

IUPAC5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O2/c1-3-11(4-2,7-13)14-10(15)8-5-6-9(12)16-8/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyXBBACGIYXUSADY-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.85
Rot. Bonds4

About 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide

5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide (PubChem CID 55139521) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
PubChem CID55139521
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide
SMILESCCC(C#N)(CC)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H13BrN2O2/c1-3-11(4-2,7-13)14-10(15)8-5-6-9(12)16-8/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyXBBACGIYXUSADY-UHFFFAOYSA-N
XLogP2.85
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315141
5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
CID 78989486
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
CID 81445991
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
N-(3-cyanopentan-3-yl)-4-methylsulfanylbenzamide
CID 79215618
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
3-chloro-N-(3-cyanopentan-3-yl)-4-methylbenzamide
CID 55163737
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide (CID 55139521) is 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide is CCC(C#N)(CC)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide?
The InChIKey is XBBACGIYXUSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-3-11(4-2,7-13)14-10(15)8-5-6-9(12)16-8/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide?
5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyanopentan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 55139521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).