(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C15H13BrFNOS — CID 106544997

IUPAC(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1F)N1CCCC1c1ccsc1
InChIInChI=1S/C15H13BrFNOS/c16-12-4-1-3-11(14(12)17)15(19)18-7-2-5-13(18)10-6-8-20-9-10/h1,3-4,6,8-9,13H,2,5,7H2
InChIKeyWPRVYKFCHOXJDR-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 106544997) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID106544997
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1F)N1CCCC1c1ccsc1
InChIInChI=1S/C15H13BrFNOS/c16-12-4-1-3-11(14(12)17)15(19)18-7-2-5-13(18)10-6-8-20-9-10/h1,3-4,6,8-9,13H,2,5,7H2
InChIKeyWPRVYKFCHOXJDR-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

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Related Compounds

(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932
(4-amino-2-chlorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 61109638
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948028
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 106544997) is (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is O=C(c1cccc(Br)c1F)N1CCCC1c1ccsc1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is WPRVYKFCHOXJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-12-4-1-3-11(14(12)17)15(19)18-7-2-5-13(18)10-6-8-20-9-10/h1,3-4,6,8-9,13H,2,5,7H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
(3-bromo-2-fluorophenyl)-(2-thiophen-3-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 (3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106544997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).