5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide

C11H14BrNO2 — CID 103659452

IUPAC5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
SMILESCC1(C)CC1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c1-11(2)5-7(11)6-13-10(14)8-3-4-9(12)15-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyQNPKHZWOLAIRCP-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.82
Rot. Bonds3

About 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide

5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide (PubChem CID 103659452) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
PubChem CID103659452
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
SMILESCC1(C)CC1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c1-11(2)5-7(11)6-13-10(14)8-3-4-9(12)15-8/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyQNPKHZWOLAIRCP-UHFFFAOYSA-N
XLogP2.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
CID 97180803
5-bromo-N-[(4-methyloxan-4-yl)methyl]furan-2-carboxamide
CID 91914813
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]furan-2-carboxamide
CID 17010723
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
CID 154835131
5-bromo-N-(2-methyl-2-methylsulfanylpropyl)furan-2-carboxamide
CID 115665099
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide (CID 103659452) is 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide is CC1(C)CC1CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide?
The InChIKey is QNPKHZWOLAIRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2)5-7(11)6-13-10(14)8-3-4-9(12)15-8/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide has a molecular weight of 272.14 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 103659452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).