5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide

C15H15BrN2O2 — CID 822267

IUPAC5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O2/c16-14-8-7-13(20-14)15(19)17-11-3-5-12(6-4-11)18-9-1-2-10-18/h3-8H,1-2,9-10H2,(H,17,19)
InChIKeyDXEGYHYXEIIENQ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.89
Rot. Bonds3

About 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide

5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 822267) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
PubChem CID822267
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O2/c16-14-8-7-13(20-14)15(19)17-11-3-5-12(6-4-11)18-9-1-2-10-18/h3-8H,1-2,9-10H2,(H,17,19)
InChIKeyDXEGYHYXEIIENQ-UHFFFAOYSA-N
XLogP3.89
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-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 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide (CID 822267) is 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is DXEGYHYXEIIENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-14-8-7-13(20-14)15(19)17-11-3-5-12(6-4-11)18-9-1-2-10-18/h3-8H,1-2,9-10H2,(H,17,19).
What are the key properties of 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-pyrrolidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).