3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide

C14H18BrNO2 — CID 4801136

IUPAC3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)NC1CCCCCC1
InChIInChI=1S/C14H18BrNO2/c15-13-9-7-12(18-13)8-10-14(17)16-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,16,17)
InChIKeyGWOUTNYBKNQVPK-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.89
Rot. Bonds3

About 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide

3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide (PubChem CID 4801136) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide
PubChem CID4801136
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide
SMILESO=C(C=Cc1ccc(Br)o1)NC1CCCCCC1
InChIInChI=1S/C14H18BrNO2/c15-13-9-7-12(18-13)8-10-14(17)16-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,16,17)
InChIKeyGWOUTNYBKNQVPK-UHFFFAOYSA-N
XLogP3.89
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide 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 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide (CID 4801136) is 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide is O=C(C=Cc1ccc(Br)o1)NC1CCCCCC1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide?
The InChIKey is GWOUTNYBKNQVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-9-7-12(18-13)8-10-14(17)16-11-5-3-1-2-4-6-11/h7-11H,1-6H2,(H,16,17).
What are the key properties of 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide?
3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide has a molecular weight of 312.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-cycloheptylprop-2-enamide is sourced from PubChem (CID 4801136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).