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

C15H11BrF3NOS — CID 134016978

IUPAC2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1F)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11BrF3NOS/c16-10-2-1-9(12(18)5-10)7-22-8-15(21)20-14-4-3-11(17)6-13(14)19/h1-6H,7-8H2,(H,20,21)
InChIKeySGAPSRIWUBSBOW-UHFFFAOYSA-N
MW390.22 g/mol
LogP4.74
Rot. Bonds5

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

2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 134016978) has the molecular formula C15H11BrF3NOS and a molecular weight of 390.22 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID134016978
Molecular FormulaC15H11BrF3NOS
Molecular Weight390.22 g/mol
Exact Mass388.97
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1F)Nc1ccc(F)cc1F
InChIInChI=1S/C15H11BrF3NOS/c16-10-2-1-9(12(18)5-10)7-22-8-15(21)20-14-4-3-11(17)6-13(14)19/h1-6H,7-8H2,(H,20,21)
InChIKeySGAPSRIWUBSBOW-UHFFFAOYSA-N
XLogP4.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
CID 134016970
N-(2,4-difluorophenyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]acetamide
CID 134017107
N-(4-bromo-2-fluorophenyl)-3-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664532
N-(4-bromo-2-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309874
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 2732308
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
2-[4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylbutylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4215969
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 66230883
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
N-(2,4-difluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 52644992
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 134016978) is 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide is O=C(CSCc1ccc(Br)cc1F)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is SGAPSRIWUBSBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NOS/c16-10-2-1-9(12(18)5-10)7-22-8-15(21)20-14-4-3-11(17)6-13(14)19/h1-6H,7-8H2,(H,20,21).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 390.22 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 134016978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).