4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide

C18H18FNO4S — CID 21178410

IUPAC4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccc(F)cc2)C2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C18H18FNO4S/c1-12-3-2-4-15(9-12)20(16-10-25(23,24)11-17(16)21)18(22)13-5-7-14(19)8-6-13/h2-9,16-17,21H,10-11H2,1H3
InChIKeyFYJIDIRNWAYHRD-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.94
Rot. Bonds3

About 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide

4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide (PubChem CID 21178410) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide
PubChem CID21178410
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C(=O)c2ccc(F)cc2)C2CS(=O)(=O)CC2O)c1
InChIInChI=1S/C18H18FNO4S/c1-12-3-2-4-15(9-12)20(16-10-25(23,24)11-17(16)21)18(22)13-5-7-14(19)8-6-13/h2-9,16-17,21H,10-11H2,1H3
InChIKeyFYJIDIRNWAYHRD-UHFFFAOYSA-N
XLogP1.94
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide (CID 21178410) is 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide is Cc1cccc(N(C(=O)c2ccc(F)cc2)C2CS(=O)(=O)CC2O)c1.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide?
The InChIKey is FYJIDIRNWAYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-12-3-2-4-15(9-12)20(16-10-25(23,24)11-17(16)21)18(22)13-5-7-14(19)8-6-13/h2-9,16-17,21H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide?
4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide has a molecular weight of 363.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 21178410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).