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

C15H15BrN2O2 — CID 890518

IUPAC5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O2/c16-14-8-7-13(20-14)15(19)17-11-5-1-2-6-12(11)18-9-3-4-10-18/h1-2,5-8H,3-4,9-10H2,(H,17,19)
InChIKeyVQBHUVKMXXSCFA-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.89
Rot. Bonds3

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

5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 890518) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
PubChem CID890518
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O2/c16-14-8-7-13(20-14)15(19)17-11-5-1-2-6-12(11)18-9-3-4-10-18/h1-2,5-8H,3-4,9-10H2,(H,17,19)
InChIKeyVQBHUVKMXXSCFA-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

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Related Compounds

5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 44224261
N-(4-bromophenyl)furan-2-carboxamide
CID 531895
N-(2-(4-acetylpiperazin-1-yl)-3-chlorophenyl)-5-bromofuran-2-carboxamide
CID 17027307
5-bromo-N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-furamide
CID 979869
5-bromo-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}furan-2-carboxamide
CID 10161902
4,5-Dibromo-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)furan-2-carboxamide
CID 25105710
Piperazine amide, 6a
CID 25210489
5-bromo-N-[3-chloro-2-(4-methyl-1-piperazinyl)phenyl]-2-furamide
CID 42537838
Piperazine amide, 4c
CID 44236944
Piperazine amide, 4f
CID 44236946
Piperazine amide, 4h
CID 44236947
Piperazine amide, 4i
CID 44236948

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide (CID 890518) is 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide is O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is VQBHUVKMXXSCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-14-8-7-13(20-14)15(19)17-11-5-1-2-6-12(11)18-9-3-4-10-18/h1-2,5-8H,3-4,9-10H2,(H,17,19).
What are the key properties of 5-bromo-N-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide?
5-bromo-N-(2-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-(2-pyrrolidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 890518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).