2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide

C15H13BrFNOS — CID 25429308

IUPAC2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1ccc(F)cc1Br)Nc1ccccc1
InChIInChI=1S/C15H13BrFNOS/c16-14-8-12(17)7-6-11(14)9-20-10-15(19)18-13-4-2-1-3-5-13/h1-8H,9-10H2,(H,18,19)
InChIKeyWXHUWHLYKGYAKU-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.46
Rot. Bonds5

About 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide

2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide (PubChem CID 25429308) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
PubChem CID25429308
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1ccc(F)cc1Br)Nc1ccccc1
InChIInChI=1S/C15H13BrFNOS/c16-14-8-12(17)7-6-11(14)9-20-10-15(19)18-13-4-2-1-3-5-13/h1-8H,9-10H2,(H,18,19)
InChIKeyWXHUWHLYKGYAKU-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
2-[(2-bromophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 1280042
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
CID 134016970
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 134016978
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958
2-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylsulfanyl]-N-phenylacetamide
CID 18706778
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide (CID 25429308) is 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide is O=C(CSCc1ccc(F)cc1Br)Nc1ccccc1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is WXHUWHLYKGYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-14-8-12(17)7-6-11(14)9-20-10-15(19)18-13-4-2-1-3-5-13/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide?
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 354.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 25429308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).