2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide

C15H14FNO2S — CID 7702018

IUPAC2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCSc1ccccc1F
InChIInChI=1S/C15H14FNO2S/c16-12-6-2-4-8-14(12)20-10-9-19-13-7-3-1-5-11(13)15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyNXSJXDFFFFIHOT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide

2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide (PubChem CID 7702018) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide
PubChem CID7702018
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide
SMILESNC(=O)c1ccccc1OCCSc1ccccc1F
InChIInChI=1S/C15H14FNO2S/c16-12-6-2-4-8-14(12)20-10-9-19-13-7-3-1-5-11(13)15(17)18/h1-8H,9-10H2,(H2,17,18)
InChIKeyNXSJXDFFFFIHOT-UHFFFAOYSA-N
XLogP3.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
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 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide?
The IUPAC name of 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide (CID 7702018) is 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide is NC(=O)c1ccccc1OCCSc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide?
The InChIKey is NXSJXDFFFFIHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-12-6-2-4-8-14(12)20-10-9-19-13-7-3-1-5-11(13)15(17)18/h1-8H,9-10H2,(H2,17,18).
What are the key properties of 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide?
2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide has a molecular weight of 291.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)sulfanylethoxy]benzamide is sourced from PubChem (CID 7702018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).