N-(1-adamantyl)-5-bromofuran-2-carboxamide

C15H18BrNO2 — CID 2930017

IUPACN-(1-adamantyl)-5-bromofuran-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c16-13-2-1-12(19-13)14(18)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,17,18)
InChIKeyBBRFGXSLGJVBCQ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.74
Rot. Bonds2

About N-(1-adamantyl)-5-bromofuran-2-carboxamide

N-(1-adamantyl)-5-bromofuran-2-carboxamide (PubChem CID 2930017) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(1-adamantyl)-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-bromofuran-2-carboxamide
PubChem CID2930017
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-(1-adamantyl)-5-bromofuran-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)o1
InChIInChI=1S/C15H18BrNO2/c16-13-2-1-12(19-13)14(18)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,17,18)
InChIKeyBBRFGXSLGJVBCQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-5-bromofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-bromofuran-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-bromofuran-2-carboxamide (CID 2930017) is N-(1-adamantyl)-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-bromofuran-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-bromofuran-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)o1.
What is the InChIKey of N-(1-adamantyl)-5-bromofuran-2-carboxamide?
The InChIKey is BBRFGXSLGJVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-2-1-12(19-13)14(18)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8H2,(H,17,18).
What are the key properties of N-(1-adamantyl)-5-bromofuran-2-carboxamide?
N-(1-adamantyl)-5-bromofuran-2-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-bromofuran-2-carboxamide is sourced from PubChem (CID 2930017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).