2-fluoro-N-(2-phenylsulfanylethyl)benzamide

C15H14FNOS — CID 6457810

IUPAC2-fluoro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNOS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVUVXDIZBXQEWAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.35
Rot. Bonds5

About 2-fluoro-N-(2-phenylsulfanylethyl)benzamide

2-fluoro-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 6457810) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-phenylsulfanylethyl)benzamide
PubChem CID6457810
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name2-fluoro-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H14FNOS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyVUVXDIZBXQEWAY-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-(2-phenylsulfanylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-phenylsulfanylethyl)benzamide (CID 6457810) is 2-fluoro-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is VUVXDIZBXQEWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-14-9-5-4-8-13(14)15(18)17-10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-fluoro-N-(2-phenylsulfanylethyl)benzamide?
2-fluoro-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 275.35 g/mol, XLogP of 3.35, 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-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 6457810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).