(2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone

C20H18FNOS — CID 43057269

IUPAC(2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C20H18FNOS/c21-17-9-4-10-18-16(17)13-19(24-18)20(23)22-11-5-8-15(22)12-14-6-2-1-3-7-14/h1-4,6-7,9-10,13,15H,5,8,11-12H2
InChIKeyZVFTWDDTKMUKEH-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.89
Rot. Bonds3

About (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone

(2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone (PubChem CID 43057269) has the molecular formula C20H18FNOS and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
PubChem CID43057269
Molecular FormulaC20H18FNOS
Molecular Weight339.44 g/mol
Exact Mass339.11
IUPAC Name(2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C20H18FNOS/c21-17-9-4-10-18-16(17)13-19(24-18)20(23)22-11-5-8-15(22)12-14-6-2-1-3-7-14/h1-4,6-7,9-10,13,15H,5,8,11-12H2
InChIKeyZVFTWDDTKMUKEH-UHFFFAOYSA-N
XLogP4.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
The IUPAC name of (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone (CID 43057269) is (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone is O=C(c1cc2c(F)cccc2s1)N1CCCC1Cc1ccccc1.
What is the InChIKey of (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
The InChIKey is ZVFTWDDTKMUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNOS/c21-17-9-4-10-18-16(17)13-19(24-18)20(23)22-11-5-8-15(22)12-14-6-2-1-3-7-14/h1-4,6-7,9-10,13,15H,5,8,11-12H2.
What are the key properties of (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone?
(2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpyrrolidin-1-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 43057269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).