N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide

C10H14BrNO2 — CID 114314292

IUPACN-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1ccoc1
InChIInChI=1S/C10H14BrNO2/c1-3-10(2,7-11)12-9(13)8-4-5-14-6-8/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyCGHOIHAHXHOJBH-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.57
Rot. Bonds4

About N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide

N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide (PubChem CID 114314292) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
PubChem CID114314292
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1ccoc1
InChIInChI=1S/C10H14BrNO2/c1-3-10(2,7-11)12-9(13)8-4-5-14-6-8/h4-6H,3,7H2,1-2H3,(H,12,13)
InChIKeyCGHOIHAHXHOJBH-UHFFFAOYSA-N
XLogP2.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
CID 63998131
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
N-(1-bromo-2-methylbutan-2-yl)-3,4-diethoxybenzamide
CID 114314436
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114314575
N-(1-bromo-2-methylbutan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 114314492
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide (CID 114314292) is N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide is CCC(C)(CBr)NC(=O)c1ccoc1.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide?
The InChIKey is CGHOIHAHXHOJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-3-10(2,7-11)12-9(13)8-4-5-14-6-8/h4-6H,3,7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide?
N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 114314292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).