N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide

C17H22BrNO2 — CID 78859383

IUPACN-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1Br
InChIInChI=1S/C17H22BrNO2/c1-8-14(15(18)9(2)21-8)17(20)19-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,3-7H2,1-2H3,(H,19,20)
InChIKeyUALCUMRJGHHOFL-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.21
Rot. Bonds2

About N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide

N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide (PubChem CID 78859383) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide
PubChem CID78859383
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1Br
InChIInChI=1S/C17H22BrNO2/c1-8-14(15(18)9(2)21-8)17(20)19-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,3-7H2,1-2H3,(H,19,20)
InChIKeyUALCUMRJGHHOFL-UHFFFAOYSA-N
XLogP4.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
CID 78798957
N-(2-adamantyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19575386
N-(2-adamantyl)-3,5-dimethylbenzamide
CID 923702
N-(2-adamantyl)-6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carboxamide
CID 138635183
4-bromo-2,5-dimethyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)furan-3-carboxamide
CID 55782819
N-(2-adamantyl)-3-bromobenzamide
CID 771513
N-(2-adamantyl)-5-amino-2-bromobenzamide
CID 115297133
N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
CID 3876536
N-(2-adamantyl)-2-aminobenzamide
CID 61214981
N-(2-adamantyl)-5-bromo-2-iodobenzamide
CID 103602440
N-(2-adamantyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279634
N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
CID 8990556

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide (CID 78859383) is N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1Br.
What is the InChIKey of N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide?
The InChIKey is UALCUMRJGHHOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-8-14(15(18)9(2)21-8)17(20)19-16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,3-7H2,1-2H3,(H,19,20).
What are the key properties of N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide?
N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-4-bromo-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 78859383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).