5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide

C13H16BrNO2 — CID 729887

IUPAC5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C13H16BrNO2/c14-12-7-6-11(17-12)13(16)15-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,15,16)
InChIKeyWVZSFVQRCMVHLP-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.66
Rot. Bonds4

About 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide (PubChem CID 729887) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
PubChem CID729887
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C13H16BrNO2/c14-12-7-6-11(17-12)13(16)15-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,15,16)
InChIKeyWVZSFVQRCMVHLP-UHFFFAOYSA-N
XLogP3.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(5-Bromo-furan-2-carbonyl)-amino]-propionic acid
CID 655116
5-Bromo-furan-2-carboxylic acid adamantan-2-ylamide
CID 798489
N-(1-adamantyl)-5-bromofuran-2-carboxamide
CID 2930017
5-bromo-N-cycloheptylfuran-2-carboxamide
CID 673585
N-benzylfuran-2-carboxamide
CID 347531
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 888361
5-bromo-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 1770747
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 2932965
N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-5-bromofuran-2-carboxamide
CID 2932972
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
CID 2971387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide (CID 729887) is 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is WVZSFVQRCMVHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-12-7-6-11(17-12)13(16)15-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 729887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).