2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

C17H19FN2OS — CID 16931552

IUPAC2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1ccccc1F
InChIInChI=1S/C17H19FN2OS/c18-15-6-2-1-5-14(15)17(21)19-11-16(13-7-10-22-12-13)20-8-3-4-9-20/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,19,21)
InChIKeyPKHIAIFJKFPBLG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.45
Rot. Bonds5

About 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide

2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931552) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931552
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCCC1)c1ccccc1F
InChIInChI=1S/C17H19FN2OS/c18-15-6-2-1-5-14(15)17(21)19-11-16(13-7-10-22-12-13)20-8-3-4-9-20/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,19,21)
InChIKeyPKHIAIFJKFPBLG-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide (CID 16931552) is 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is O=C(NCC(c1ccsc1)N1CCCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is PKHIAIFJKFPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-15-6-2-1-5-14(15)17(21)19-11-16(13-7-10-22-12-13)20-8-3-4-9-20/h1-2,5-7,10,12,16H,3-4,8-9,11H2,(H,19,21).
What are the key properties of 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide?
2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).