N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide

C18H18FNO3S — CID 665750

IUPACN-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO3S/c19-16-8-6-15(7-9-16)18(21)20(12-14-4-2-1-3-5-14)17-10-11-24(22,23)13-17/h1-9,17H,10-13H2
InChIKeyHVBIHGTZJGTVJC-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.66
Rot. Bonds4

About N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide

N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide (PubChem CID 665750) 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)-4-fluorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
PubChem CID665750
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(Cc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18FNO3S/c19-16-8-6-15(7-9-16)18(21)20(12-14-4-2-1-3-5-14)17-10-11-24(22,23)13-17/h1-9,17H,10-13H2
InChIKeyHVBIHGTZJGTVJC-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

Analyze N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluorobenzamide
CID 7544494
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(naphthalen-1-ylmethyl)benzamide
CID 40851165
N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 8781845
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 7299216
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 7123214
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methylbenzamide
CID 40561453
N-benzyl-3-(difluoromethoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 8781850

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
The IUPAC name of N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide (CID 665750) is N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(Cc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
The InChIKey is HVBIHGTZJGTVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c19-16-8-6-15(7-9-16)18(21)20(12-14-4-2-1-3-5-14)17-10-11-24(22,23)13-17/h1-9,17H,10-13H2.
What are the key properties of N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide?
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-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)-4-fluorobenzamide is sourced from PubChem (CID 665750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).