2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide

C15H13BrFNOS — CID 30471958

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSCc1cccc(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H13BrFNOS/c16-12-4-1-3-11(7-12)9-20-10-15(19)18-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyGVZSTIHTMIAHNH-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.46
Rot. Bonds5

About 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 30471958) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID30471958
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSCc1cccc(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H13BrFNOS/c16-12-4-1-3-11(7-12)9-20-10-15(19)18-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyGVZSTIHTMIAHNH-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

2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
2-[(3-bromophenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47003826
2-(2-aminoethylsulfanyl)-N-(3-fluorophenyl)acetamide
CID 24706980
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
2-[2-(dimethylamino)ethylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 134064922
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 30560974
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide
CID 1381063
2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide (CID 30471958) is 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide is O=C(CSCc1cccc(Br)c1)Nc1cccc(F)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is GVZSTIHTMIAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-12-4-1-3-11(7-12)9-20-10-15(19)18-14-6-2-5-13(17)8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide 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-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 30471958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).