N-(2-adamantyl)-5-bromofuran-2-carboxamide

C15H18BrNO2 — CID 798489

IUPACN-(2-adamantyl)-5-bromofuran-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c16-13-2-1-12(19-13)15(18)17-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14H,3-7H2,(H,17,18)
InChIKeyGFEKIYDIDOQAOJ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.60
Rot. Bonds2

About N-(2-adamantyl)-5-bromofuran-2-carboxamide

N-(2-adamantyl)-5-bromofuran-2-carboxamide (PubChem CID 798489) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(2-adamantyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-5-bromofuran-2-carboxamide
PubChem CID798489
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-(2-adamantyl)-5-bromofuran-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c16-13-2-1-12(19-13)15(18)17-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14H,3-7H2,(H,17,18)
InChIKeyGFEKIYDIDOQAOJ-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-5-bromofuran-2-carboxamide (CID 798489) is N-(2-adamantyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-5-bromofuran-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Br)o1.
What is the InChIKey of N-(2-adamantyl)-5-bromofuran-2-carboxamide?
The InChIKey is GFEKIYDIDOQAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-2-1-12(19-13)15(18)17-14-10-4-8-3-9(6-10)7-11(14)5-8/h1-2,8-11,14H,3-7H2,(H,17,18).
What are the key properties of N-(2-adamantyl)-5-bromofuran-2-carboxamide?
N-(2-adamantyl)-5-bromofuran-2-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 798489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).