2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide

C13H18BrNO2 — CID 106852683

IUPAC2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1ccoc1Br
InChIInChI=1S/C13H18BrNO2/c14-12-11(7-9-17-12)13(16)15-8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,15,16)
InChIKeyUVJQCNWKLHPADE-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.74
Rot. Bonds4

About 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide

2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide (PubChem CID 106852683) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
PubChem CID106852683
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1ccoc1Br
InChIInChI=1S/C13H18BrNO2/c14-12-11(7-9-17-12)13(16)15-8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,15,16)
InChIKeyUVJQCNWKLHPADE-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
4-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524562
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
CID 106852949
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
2-bromo-N-(thiolan-2-ylmethyl)furan-3-carboxamide
CID 106854161
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide (CID 106852683) is 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide is O=C(NCCC1CCCCC1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide?
The InChIKey is UVJQCNWKLHPADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c14-12-11(7-9-17-12)13(16)15-8-6-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,15,16).
What are the key properties of 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide?
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide is sourced from PubChem (CID 106852683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).