2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide

C13H18BrNO2 — CID 106853765

IUPAC2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
SMILESCCC1CCC(NC(=O)c2ccoc2Br)CC1
InChIInChI=1S/C13H18BrNO2/c1-2-9-3-5-10(6-4-9)15-13(16)11-7-8-17-12(11)14/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyVSPGBIJMHFYDJR-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.74
Rot. Bonds3

About 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide

2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide (PubChem CID 106853765) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
PubChem CID106853765
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
SMILESCCC1CCC(NC(=O)c2ccoc2Br)CC1
InChIInChI=1S/C13H18BrNO2/c1-2-9-3-5-10(6-4-9)15-13(16)11-7-8-17-12(11)14/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyVSPGBIJMHFYDJR-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 106853762
2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106854282
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
CID 106852600
2-bromo-N-(4-ethylcyclohexyl)-5-sulfanylbenzamide
CID 107025059
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
2-bromo-N-(1-carbamothioyl-4-ethylcyclohexyl)furan-3-carboxamide
CID 106852172
N-(4-ethylcyclohexyl)-4-(methylamino)benzamide
CID 62179103
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
CID 106899069
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)furan-3-carboxamide
CID 106854038
3-bromo-N-(4-ethylcyclohexyl)-5-methylbenzamide
CID 113460730
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide (CID 106853765) is 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide is CCC1CCC(NC(=O)c2ccoc2Br)CC1.
What is the InChIKey of 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide?
The InChIKey is VSPGBIJMHFYDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-9-3-5-10(6-4-9)15-13(16)11-7-8-17-12(11)14/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide?
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 106853765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).