2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide

C15H13ClFNOS — CID 2527802

IUPAC2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C15H13ClFNOS/c1-9-3-4-10(17)7-14(9)18-15(19)12-8-11(20-2)5-6-13(12)16/h3-8H,1-2H3,(H,18,19)
InChIKeyKYSLEDWKZZGZLL-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.76
Rot. Bonds3

About 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide

2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide (PubChem CID 2527802) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
PubChem CID2527802
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC Name2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cc(F)ccc2C)c1
InChIInChI=1S/C15H13ClFNOS/c1-9-3-4-10(17)7-14(9)18-15(19)12-8-11(20-2)5-6-13(12)16/h3-8H,1-2H3,(H,18,19)
InChIKeyKYSLEDWKZZGZLL-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-methylsulfanylbenzamide
CID 51166452
5-amino-2,3-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 107183212
[4-[(2-chloro-5-methylsulfanylbenzoyl)amino]-3-methylphenyl] thiocyanate
CID 822764
2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 9097781
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
5-bromo-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 65307346
N-(2-fluoro-5-methylphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148805
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
N-[2-(bromomethyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 114309537
2-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)-5-methylsulfanylbenzamide
CID 19394269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide (CID 2527802) is 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2cc(F)ccc2C)c1.
What is the InChIKey of 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide?
The InChIKey is KYSLEDWKZZGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c1-9-3-4-10(17)7-14(9)18-15(19)12-8-11(20-2)5-6-13(12)16/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide?
2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide has a molecular weight of 309.79 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-fluoro-2-methylphenyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 2527802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).