2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C16H16FNOS — CID 2985265

IUPAC2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNOS/c1-12-6-8-13(9-7-12)20-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFNXPIQYSWSTTRJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.66
Rot. Bonds5

About 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 2985265) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID2985265
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H16FNOS/c1-12-6-8-13(9-7-12)20-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFNXPIQYSWSTTRJ-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 2985265) is 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is Cc1ccc(SCCNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is FNXPIQYSWSTTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12-6-8-13(9-7-12)20-11-10-18-16(19)14-4-2-3-5-15(14)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 2985265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).