N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide

C15H12F3NOS — CID 2094927

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12F3NOS/c16-13-4-2-1-3-10(13)9-14(20)19-11-5-7-12(8-6-11)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyJSHIGTIDHUCMNI-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.32
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide (PubChem CID 2094927) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide
PubChem CID2094927
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12F3NOS/c16-13-4-2-1-3-10(13)9-14(20)19-11-5-7-12(8-6-11)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyJSHIGTIDHUCMNI-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide (CID 2094927) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JSHIGTIDHUCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-13-4-2-1-3-10(13)9-14(20)19-11-5-7-12(8-6-11)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 311.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2094927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).