5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide

C17H18BrN3O3 — CID 30495584

IUPAC5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C17H18BrN3O3/c18-15-8-7-14(24-15)17(23)19-11-16(22)20-12-5-1-2-6-13(12)21-9-3-4-10-21/h1-2,5-8H,3-4,9-11H2,(H,19,23)(H,20,22)
InChIKeyQHPURDDBBZWJSH-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide (PubChem CID 30495584) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
PubChem CID30495584
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C17H18BrN3O3/c18-15-8-7-14(24-15)17(23)19-11-16(22)20-12-5-1-2-6-13(12)21-9-3-4-10-21/h1-2,5-8H,3-4,9-11H2,(H,19,23)(H,20,22)
InChIKeyQHPURDDBBZWJSH-UHFFFAOYSA-N
XLogP3.01
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]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

Related Compounds

2-methyl-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 46526099
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835
2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 30495619
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-bromofuran-2-carboxamide
CID 1288270
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
N-[2-oxo-2-(2-piperidin-1-ylanilino)ethyl]adamantane-1-carboxamide
CID 46798897
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
5-cyano-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 11231718
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide (CID 30495584) is 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide?
The InChIKey is QHPURDDBBZWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c18-15-8-7-14(24-15)17(23)19-11-16(22)20-12-5-1-2-6-13(12)21-9-3-4-10-21/h1-2,5-8H,3-4,9-11H2,(H,19,23)(H,20,22).
What are the key properties of 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 30495584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).