2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide

C17H14F2N2OS — CID 2052923

IUPAC2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C17H14F2N2OS/c18-12-5-3-6-13(19)16(12)17(22)20-8-9-23-15-10-21-14-7-2-1-4-11(14)15/h1-7,10,21H,8-9H2,(H,20,22)
InChIKeyZSACEUZQUOKYLX-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.97
Rot. Bonds5

About 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide

2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide (PubChem CID 2052923) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
PubChem CID2052923
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C17H14F2N2OS/c18-12-5-3-6-13(19)16(12)17(22)20-8-9-23-15-10-21-14-7-2-1-4-11(14)15/h1-7,10,21H,8-9H2,(H,20,22)
InChIKeyZSACEUZQUOKYLX-UHFFFAOYSA-N
XLogP3.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
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 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide (CID 2052923) is 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide is O=C(NCCSc1c[nH]c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
The InChIKey is ZSACEUZQUOKYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c18-12-5-3-6-13(19)16(12)17(22)20-8-9-23-15-10-21-14-7-2-1-4-11(14)15/h1-7,10,21H,8-9H2,(H,20,22).
What are the key properties of 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide?
2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide has a molecular weight of 332.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(1H-indol-3-ylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 2052923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).