3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

C14H14FNO2S — CID 18113758

IUPAC3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C14H14FNO2S/c15-12-4-1-3-11(9-12)14(17)16-6-8-19-10-13-5-2-7-18-13/h1-5,7,9H,6,8,10H2,(H,16,17)
InChIKeyQJLHDCFPZFHHPI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.08
Rot. Bonds6

About 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide

3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 18113758) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID18113758
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C14H14FNO2S/c15-12-4-1-3-11(9-12)14(17)16-6-8-19-10-13-5-2-7-18-13/h1-5,7,9H,6,8,10H2,(H,16,17)
InChIKeyQJLHDCFPZFHHPI-UHFFFAOYSA-N
XLogP3.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.08
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-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide (CID 18113758) is 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is QJLHDCFPZFHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c15-12-4-1-3-11(9-12)14(17)16-6-8-19-10-13-5-2-7-18-13/h1-5,7,9H,6,8,10H2,(H,16,17).
What are the key properties of 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide?
3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 18113758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).