N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide

C18H17F2NO3S — CID 664975

IUPACN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H17F2NO3S/c19-14-7-5-13(6-8-14)11-21(15-9-10-25(23,24)12-15)18(22)16-3-1-2-4-17(16)20/h1-8,15H,9-12H2
InChIKeyGHZJXIXJVKBVGI-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.79
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide

N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 664975) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID664975
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H17F2NO3S/c19-14-7-5-13(6-8-14)11-21(15-9-10-25(23,24)12-15)18(22)16-3-1-2-4-17(16)20/h1-8,15H,9-12H2
InChIKeyGHZJXIXJVKBVGI-UHFFFAOYSA-N
XLogP2.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide (CID 664975) is N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccccc1F)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is GHZJXIXJVKBVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-14-7-5-13(6-8-14)11-21(15-9-10-25(23,24)12-15)18(22)16-3-1-2-4-17(16)20/h1-8,15H,9-12H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 365.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).