(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone

C15H13BrFNO2 — CID 110612224

IUPAC(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCC(c2ccco2)C1
InChIInChI=1S/C15H13BrFNO2/c16-12-6-11(7-13(17)8-12)15(19)18-4-3-10(9-18)14-2-1-5-20-14/h1-2,5-8,10H,3-4,9H2
InChIKeyDSPHVSTYDOBHCN-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.81
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone

(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 110612224) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID110612224
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCC(c2ccco2)C1
InChIInChI=1S/C15H13BrFNO2/c16-12-6-11(7-13(17)8-12)15(19)18-4-3-10(9-18)14-2-1-5-20-14/h1-2,5-8,10H,3-4,9H2
InChIKeyDSPHVSTYDOBHCN-UHFFFAOYSA-N
XLogP3.81
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110424514
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 97212484
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
1-(4-fluorophenyl)-5-[3-(furan-2-yl)pyrrolidin-1-yl]pentane-1,5-dione
CID 110421538
(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 65244996
2-[3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 110421495

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 110612224) is (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cc(F)cc(Br)c1)N1CCC(c2ccco2)C1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DSPHVSTYDOBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-12-6-11(7-13(17)8-12)15(19)18-4-3-10(9-18)14-2-1-5-20-14/h1-2,5-8,10H,3-4,9H2.
What are the key properties of (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone?
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 338.18 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110612224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).