5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide

C13H18BrNO2 — CID 79879003

IUPAC5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
SMILESCC1(C)CCCCC1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H18BrNO2/c1-13(2)8-4-3-5-10(13)15-12(16)9-6-7-11(14)17-9/h6-7,10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyAJVKALBJLNXPIM-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.74
Rot. Bonds2

About 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide

5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide (PubChem CID 79879003) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
PubChem CID79879003
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
SMILESCC1(C)CCCCC1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C13H18BrNO2/c1-13(2)8-4-3-5-10(13)15-12(16)9-6-7-11(14)17-9/h6-7,10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyAJVKALBJLNXPIM-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214662
3-bromo-N-(2,2-dimethylcyclohexyl)-2-methylbenzamide
CID 79878594
4-bromo-N-(2,2-dimethylcyclohexyl)-2-hydroxybenzamide
CID 79878094
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
CID 103966929
N-[(1R,2R)-2-aminocyclohexyl]-5-bromofuran-2-carboxamide
CID 93452199
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
5-bromo-N-[2-(bromomethyl)cyclohexyl]furan-2-carboxamide
CID 106367301
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
N-(2,2-dimethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443518
5-bromo-N-(4-hydroxyoxolan-3-yl)furan-2-carboxamide
CID 130700415
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
CID 79855552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide (CID 79879003) is 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide is CC1(C)CCCCC1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide?
The InChIKey is AJVKALBJLNXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-13(2)8-4-3-5-10(13)15-12(16)9-6-7-11(14)17-9/h6-7,10H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide?
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.74, 2 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-dimethylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 79879003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).