4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide

C18H19F2NOS — CID 1488795

IUPAC4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(F)cc1)SCc1ccc(F)cc1
InChIInChI=1S/C18H19F2NOS/c1-18(2,23-11-13-3-7-15(19)8-4-13)12-21-17(22)14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyQONLHCWXHXEUEW-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.41
Rot. Bonds6

About 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide

4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide (PubChem CID 1488795) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide
PubChem CID1488795
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(F)cc1)SCc1ccc(F)cc1
InChIInChI=1S/C18H19F2NOS/c1-18(2,23-11-13-3-7-15(19)8-4-13)12-21-17(22)14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)
InChIKeyQONLHCWXHXEUEW-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide (CID 1488795) is 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1ccc(F)cc1)SCc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide?
The InChIKey is QONLHCWXHXEUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOS/c1-18(2,23-11-13-3-7-15(19)8-4-13)12-21-17(22)14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide?
4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide has a molecular weight of 335.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]benzamide is sourced from PubChem (CID 1488795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).