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

C14H10BrF2NOS — CID 16552798

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrF2NOS/c15-9-1-6-13(12(17)7-9)18-14(19)8-20-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19)
InChIKeyYDAZRQMLINQPQG-UHFFFAOYSA-N
MW358.21 g/mol
LogP4.46
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 16552798) has the molecular formula C14H10BrF2NOS and a molecular weight of 358.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID16552798
Molecular FormulaC14H10BrF2NOS
Molecular Weight358.21 g/mol
Exact Mass356.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrF2NOS/c15-9-1-6-13(12(17)7-9)18-14(19)8-20-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19)
InChIKeyYDAZRQMLINQPQG-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide 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-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 16552798) is N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is YDAZRQMLINQPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS/c15-9-1-6-13(12(17)7-9)18-14(19)8-20-11-4-2-10(16)3-5-11/h1-7H,8H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 358.21 g/mol, XLogP of 4.46, 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-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 16552798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).