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

C17H19BrN2O2 — CID 16889512

IUPAC5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O2/c18-16-8-7-15(22-16)17(21)19-10-9-13-3-5-14(6-4-13)20-11-1-2-12-20/h3-8H,1-2,9-12H2,(H,19,21)
InChIKeyMJGFGURXDODGPF-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.61
Rot. Bonds5

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

5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 16889512) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID16889512
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O2/c18-16-8-7-15(22-16)17(21)19-10-9-13-3-5-14(6-4-13)20-11-1-2-12-20/h3-8H,1-2,9-12H2,(H,19,21)
InChIKeyMJGFGURXDODGPF-UHFFFAOYSA-N
XLogP3.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide (CID 16889512) is 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide is O=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is MJGFGURXDODGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c18-16-8-7-15(22-16)17(21)19-10-9-13-3-5-14(6-4-13)20-11-1-2-12-20/h3-8H,1-2,9-12H2,(H,19,21).
What are the key properties of 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 16889512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).