N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide

C9H9BrFNOS — CID 170267100

IUPACN-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide
SMILESCSc1c(F)cc(NC(C)=O)cc1Br
InChIInChI=1S/C9H9BrFNOS/c1-5(13)12-6-3-7(10)9(14-2)8(11)4-6/h3-4H,1-2H3,(H,12,13)
InChIKeyPBJIHBBUZPVGHL-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.27
Rot. Bonds2

About N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide

N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide (PubChem CID 170267100) has the molecular formula C9H9BrFNOS and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide
PubChem CID170267100
Molecular FormulaC9H9BrFNOS
Molecular Weight278.15 g/mol
Exact Mass276.96
IUPAC NameN-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide
SMILESCSc1c(F)cc(NC(C)=O)cc1Br
InChIInChI=1S/C9H9BrFNOS/c1-5(13)12-6-3-7(10)9(14-2)8(11)4-6/h3-4H,1-2H3,(H,12,13)
InChIKeyPBJIHBBUZPVGHL-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
2-[(4-aminophenyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 3330652
2-Bromo-4-acetamidobenzene-1-sulfonyl chloride
CID 16773488
N-(4-bromo-2-fluorophenyl)-2-(phenylsulfanyl)acetamide
CID 965597
3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 2351326
2-[(4-bromophenyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2194605
2-[(4-bromophenyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 981509
N-(4-bromo-2-fluorophenyl)-3-(phenylsulfanyl)propanamide
CID 1295021
N-(3-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 2972777
N-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 16552798
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylpropanamide
CID 71989430

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide (CID 170267100) is N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide is CSc1c(F)cc(NC(C)=O)cc1Br.
What is the InChIKey of N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide?
The InChIKey is PBJIHBBUZPVGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNOS/c1-5(13)12-6-3-7(10)9(14-2)8(11)4-6/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide?
N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide has a molecular weight of 278.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 170267100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).