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

C12H16BrNO2 — CID 106852600

IUPAC2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
SMILESCC1CCCC(NC(=O)c2ccoc2Br)C1
InChIInChI=1S/C12H16BrNO2/c1-8-3-2-4-9(7-8)14-12(15)10-5-6-16-11(10)13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyLGTGPQCZLZYKCM-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.35
Rot. Bonds2

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

2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide (PubChem CID 106852600) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
PubChem CID106852600
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide
SMILESCC1CCCC(NC(=O)c2ccoc2Br)C1
InChIInChI=1S/C12H16BrNO2/c1-8-3-2-4-9(7-8)14-12(15)10-5-6-16-11(10)13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15)
InChIKeyLGTGPQCZLZYKCM-UHFFFAOYSA-N
XLogP3.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2-bromo-N-(4-ethylcyclohexyl)furan-3-carboxamide
CID 106853765
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
methyl 4-[(2-bromofuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 106855282
2-bromo-N-(1-methylpyrrolidin-3-yl)furan-3-carboxamide
CID 106853762
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
2,3-difluoro-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 105380359
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106854282

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide (CID 106852600) is 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide is CC1CCCC(NC(=O)c2ccoc2Br)C1.
What is the InChIKey of 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide?
The InChIKey is LGTGPQCZLZYKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-8-3-2-4-9(7-8)14-12(15)10-5-6-16-11(10)13/h5-6,8-9H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide?
2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylcyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 106852600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).