(5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C15H13BrFNOS — CID 43008878

IUPAC(5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCCC1c1cccs1
InChIInChI=1S/C15H13BrFNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyUUIFNYBMHHLSEC-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 43008878) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID43008878
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name(5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(Br)ccc1F)N1CCCC1c1cccs1
InChIInChI=1S/C15H13BrFNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2
InChIKeyUUIFNYBMHHLSEC-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone 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-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 43008878) is (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1cc(Br)ccc1F)N1CCCC1c1cccs1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is UUIFNYBMHHLSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-10-5-6-12(17)11(9-10)15(19)18-7-1-3-13(18)14-4-2-8-20-14/h2,4-6,8-9,13H,1,3,7H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 354.24 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 43008878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).