N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide

C15H13BrFNOS — CID 47249027

IUPACN-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFNOS/c16-13-10-11(17)6-7-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyAKQIAUDVAZSEEJ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.71
Rot. Bonds5

About N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide

N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide (PubChem CID 47249027) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
PubChem CID47249027
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC NameN-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(F)cc1Br
InChIInChI=1S/C15H13BrFNOS/c16-13-10-11(17)6-7-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19)
InChIKeyAKQIAUDVAZSEEJ-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide 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-(2,4-dibromophenyl)-4-phenylsulfanylbutanamide
CID 3694417
N-(2-bromo-4-fluorophenyl)-3-phenoxypropanamide
CID 28938605
5-(2-bromo-4-fluoroanilino)-5-oxopentanoic acid
CID 43529761
N-(2-bromo-4-fluorophenyl)-3-oxobutanamide
CID 28939516
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
N-(2-bromo-4-fluorophenyl)-2-(2-fluorophenyl)acetamide
CID 28938688
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
[2-(2-bromoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7651165
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
N-(2-bromo-4-fluorophenyl)-2,2-diphenylacetamide
CID 52653705

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide (CID 47249027) is N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is AKQIAUDVAZSEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-13-10-11(17)6-7-14(13)18-15(19)8-9-20-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,19).
What are the key properties of N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide?
N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 354.24 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 47249027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).