N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

C18H18FNO3S — CID 664102

IUPACN-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO3S/c19-17-9-5-4-8-16(17)18(21)20(12-14-6-2-1-3-7-14)15-10-11-24(22,23)13-15/h1-9,15H,10-13H2
InChIKeyPQFWNWHQHPASTJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (PubChem CID 664102) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
PubChem CID664102
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO3S/c19-17-9-5-4-8-16(17)18(21)20(12-14-6-2-1-3-7-14)15-10-11-24(22,23)13-15/h1-9,15H,10-13H2
InChIKeyPQFWNWHQHPASTJ-UHFFFAOYSA-N
XLogP2.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The IUPAC name of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (CID 664102) is N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is O=C(c1ccccc1F)N(Cc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The InChIKey is PQFWNWHQHPASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-17-9-5-4-8-16(17)18(21)20(12-14-6-2-1-3-7-14)15-10-11-24(22,23)13-15/h1-9,15H,10-13H2.
What are the key properties of N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide has a molecular weight of 347.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 664102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).