3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

C14H13F2NO2S — CID 18113719

IUPAC3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO2S/c15-11-6-10(7-12(16)8-11)14(18)17-3-5-20-9-13-2-1-4-19-13/h1-2,4,6-8H,3,5,9H2,(H,17,18)
InChIKeyGWAXPRNNWIJRCG-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.22
Rot. Bonds6

About 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 18113719) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID18113719
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H13F2NO2S/c15-11-6-10(7-12(16)8-11)14(18)17-3-5-20-9-13-2-1-4-19-13/h1-2,4,6-8H,3,5,9H2,(H,17,18)
InChIKeyGWAXPRNNWIJRCG-UHFFFAOYSA-N
XLogP3.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.22
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 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (CID 18113719) is 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1ccco1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is GWAXPRNNWIJRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c15-11-6-10(7-12(16)8-11)14(18)17-3-5-20-9-13-2-1-4-19-13/h1-2,4,6-8H,3,5,9H2,(H,17,18).
What are the key properties of 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 18113719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).