N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide

C14H11BrFNOS — CID 965597

IUPACN-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNOS/c15-10-6-7-13(12(16)8-10)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyNZYOGZBOKZIBLF-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.32
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide

N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide (PubChem CID 965597) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide
PubChem CID965597
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H11BrFNOS/c15-10-6-7-13(12(16)8-10)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKeyNZYOGZBOKZIBLF-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide (CID 965597) is N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide?
The InChIKey is NZYOGZBOKZIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c15-10-6-7-13(12(16)8-10)17-14(18)9-19-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide has a molecular weight of 340.22 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 965597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).