5-bromo-N-cycloheptylfuran-2-carboxamide

C12H16BrNO2 — CID 673585

IUPAC5-bromo-N-cycloheptylfuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-11-8-7-10(16-11)12(15)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)
InChIKeyYJBFGKWEPKZCJA-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.49
Rot. Bonds2

About 5-bromo-N-cycloheptylfuran-2-carboxamide

5-bromo-N-cycloheptylfuran-2-carboxamide (PubChem CID 673585) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-cycloheptylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cycloheptylfuran-2-carboxamide
PubChem CID673585
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name5-bromo-N-cycloheptylfuran-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H16BrNO2/c13-11-8-7-10(16-11)12(15)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15)
InChIKeyYJBFGKWEPKZCJA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-cycloheptylfuran-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

Related Compounds

N-(2-adamantyl)-5-bromofuran-2-carboxamide
CID 798489
5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
N-(2-oxo-3-azepanyl)-2-furamide
CID 2813196
(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 2932965
N-[1-(3-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
CID 2971387
5-bromo-N-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-2-furamide
CID 2977240
5-Bromo-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)furan-2-carboxamide
CID 2977895
Cambridge id 6884896
CID 3979269
5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7478817
N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 7964563

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cycloheptylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-cycloheptylfuran-2-carboxamide (CID 673585) is 5-bromo-N-cycloheptylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cycloheptylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-cycloheptylfuran-2-carboxamide is O=C(NC1CCCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-cycloheptylfuran-2-carboxamide?
The InChIKey is YJBFGKWEPKZCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-8-7-10(16-11)12(15)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,14,15).
What are the key properties of 5-bromo-N-cycloheptylfuran-2-carboxamide?
5-bromo-N-cycloheptylfuran-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cycloheptylfuran-2-carboxamide is sourced from PubChem (CID 673585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).