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

C18H18FNO3S — CID 663907

IUPACN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO3S/c19-16-8-6-14(7-9-16)12-20(17-10-11-24(22,23)13-17)18(21)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeySGZKFXAESFDRKV-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.66
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 663907) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID663907
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO3S/c19-16-8-6-14(7-9-16)12-20(17-10-11-24(22,23)13-17)18(21)15-4-2-1-3-5-15/h1-9,17H,10-13H2
InChIKeySGZKFXAESFDRKV-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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide (CID 663907) is N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccccc1)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is SGZKFXAESFDRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-16-8-6-14(7-9-16)12-20(17-10-11-24(22,23)13-17)18(21)15-4-2-1-3-5-15/h1-9,17H,10-13H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide 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-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 663907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).