4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide

C17H16FNOS2 — CID 26881926

IUPAC4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(C3SCCS3)cc2)c1
InChIInChI=1S/C17H16FNOS2/c1-11-2-7-14(18)15(10-11)19-16(20)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,10,17H,8-9H2,1H3,(H,19,20)
InChIKeyMYWWPRSILTUGGE-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.87
Rot. Bonds3

About 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide

4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide (PubChem CID 26881926) has the molecular formula C17H16FNOS2 and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide
PubChem CID26881926
Molecular FormulaC17H16FNOS2
Molecular Weight333.45 g/mol
Exact Mass333.07
IUPAC Name4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(C3SCCS3)cc2)c1
InChIInChI=1S/C17H16FNOS2/c1-11-2-7-14(18)15(10-11)19-16(20)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,10,17H,8-9H2,1H3,(H,19,20)
InChIKeyMYWWPRSILTUGGE-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
N-(5-chloro-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8502374
4-(dimethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 78769182
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
4-(chloromethyl)-N-(2-fluoro-5-methylphenyl)benzamide
CID 43333534
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-(2-fluoro-5-methylphenyl)-5-iodothiophene-3-carboxamide
CID 78948686
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
4-(1,3-dithiolan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7962066

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide (CID 26881926) is 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide is Cc1ccc(F)c(NC(=O)c2ccc(C3SCCS3)cc2)c1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide?
The InChIKey is MYWWPRSILTUGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS2/c1-11-2-7-14(18)15(10-11)19-16(20)12-3-5-13(6-4-12)17-21-8-9-22-17/h2-7,10,17H,8-9H2,1H3,(H,19,20).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide?
4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide has a molecular weight of 333.45 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-(2-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 26881926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).