N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide

C15H13BrFNOS — CID 7546484

IUPACN-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNOS/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyIADJCKPFMNURMZ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.71
Rot. Bonds5

About N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide

N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7546484) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7546484
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC NameN-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNOS/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyIADJCKPFMNURMZ-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

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Related Compounds

N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926005
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
N-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)sulfanylpropanamide
CID 52558754
N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 7546484) is N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is IADJCKPFMNURMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c16-11-1-5-13(6-2-11)18-15(19)9-10-20-14-7-3-12(17)4-8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide 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-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7546484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).