4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide

C20H19FN2OS — CID 58276710

IUPAC4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc(CNCCc3cccc(F)c3)c2)cc1
InChIInChI=1S/C20H19FN2OS/c21-18-3-1-2-14(10-18)8-9-23-12-19-11-17(13-25-19)15-4-6-16(7-5-15)20(22)24/h1-7,10-11,13,23H,8-9,12H2,(H2,22,24)
InChIKeyUZPBEXCKGFESIW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.99
Rot. Bonds7

About 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide

4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide (PubChem CID 58276710) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide
PubChem CID58276710
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2csc(CNCCc3cccc(F)c3)c2)cc1
InChIInChI=1S/C20H19FN2OS/c21-18-3-1-2-14(10-18)8-9-23-12-19-11-17(13-25-19)15-4-6-16(7-5-15)20(22)24/h1-7,10-11,13,23H,8-9,12H2,(H2,22,24)
InChIKeyUZPBEXCKGFESIW-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide?
The IUPAC name of 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide (CID 58276710) is 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide.
What is the SMILES notation for 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide?
The canonical SMILES for 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide is NC(=O)c1ccc(-c2csc(CNCCc3cccc(F)c3)c2)cc1.
What is the InChIKey of 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide?
The InChIKey is UZPBEXCKGFESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c21-18-3-1-2-14(10-18)8-9-23-12-19-11-17(13-25-19)15-4-6-16(7-5-15)20(22)24/h1-7,10-11,13,23H,8-9,12H2,(H2,22,24).
What are the key properties of 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide?
4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophen-3-yl]benzamide is sourced from PubChem (CID 58276710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).