N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide

C15H12F3NOS — CID 31087396

IUPACN-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NOS/c16-12-4-2-1-3-10(12)8-21-9-15(20)19-11-5-6-13(17)14(18)7-11/h1-7H,8-9H2,(H,19,20)
InChIKeyZRFCUVBBIIWMAU-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.98
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide

N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 31087396) has the molecular formula C15H12F3NOS and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID31087396
Molecular FormulaC15H12F3NOS
Molecular Weight311.33 g/mol
Exact Mass311.06
IUPAC NameN-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccccc1F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H12F3NOS/c16-12-4-2-1-3-10(12)8-21-9-15(20)19-11-5-6-13(17)14(18)7-11/h1-7H,8-9H2,(H,19,20)
InChIKeyZRFCUVBBIIWMAU-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779390
N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112990293
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9427535

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide (CID 31087396) is N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccccc1F)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is ZRFCUVBBIIWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NOS/c16-12-4-2-1-3-10(12)8-21-9-15(20)19-11-5-6-13(17)14(18)7-11/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide?
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 311.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 31087396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).