[1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone

C20H16FNO2S — CID 11439605

IUPAC[1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C20H16FNO2S/c21-16-7-5-13(6-8-16)19(23)15-9-10-22(12-15)20(24)18-11-14-3-1-2-4-17(14)25-18/h1-8,11,15H,9-10,12H2
InChIKeyUSKBVJQBTURKHY-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.39
Rot. Bonds3

About [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone

[1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone (PubChem CID 11439605) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
PubChem CID11439605
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC Name[1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C20H16FNO2S/c21-16-7-5-13(6-8-16)19(23)15-9-10-22(12-15)20(24)18-11-14-3-1-2-4-17(14)25-18/h1-8,11,15H,9-10,12H2
InChIKeyUSKBVJQBTURKHY-UHFFFAOYSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone (CID 11439605) is [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc3ccccc3s2)C1.
What is the InChIKey of [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is USKBVJQBTURKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2S/c21-16-7-5-13(6-8-16)19(23)15-9-10-22(12-15)20(24)18-11-14-3-1-2-4-17(14)25-18/h1-8,11,15H,9-10,12H2.
What are the key properties of [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone?
[1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 353.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophene-2-carbonyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 11439605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).