N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide

C15H12BrClFNOS — CID 2954321

IUPACN-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNOS/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyGBDFPLASSDGWJB-UHFFFAOYSA-N
MW388.69 g/mol
LogP5.36
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide

N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 2954321) has the molecular formula C15H12BrClFNOS and a molecular weight of 388.69 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID2954321
Molecular FormulaC15H12BrClFNOS
Molecular Weight388.69 g/mol
Exact Mass386.95
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12BrClFNOS/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyGBDFPLASSDGWJB-UHFFFAOYSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
3-[(4-bromophenyl)sulfonyl]-N-(2-chlorophenyl)propanamide
CID 4109101
N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(2-bromophenyl)-3-[(4-chlorophenyl)sulfonyl]propanamide
CID 3420393
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
1-(4-Bromophenyl)-3-[(4-chlorophenyl)sulfanyl]-2,5-pyrrolidinedione
CID 2876212
2-[(4-bromophenyl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 985719
N-(3-Chloro-4-fluorophenyl)-2-((4-chlorophenyl)thio)acetamide
CID 589428
2-[(4-chlorophenyl)thio]-N-[3-(methylthio)phenyl]acetamide
CID 895887
3-[(4-chlorophenyl)sulfonyl]-N-(4-fluorophenyl)propanamide
CID 3550070
2-[(4-aminophenyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 3330652

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide (CID 2954321) is N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is GBDFPLASSDGWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNOS/c1-9(21-12-5-3-11(17)4-6-12)15(20)19-14-7-2-10(16)8-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide?
N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 388.69 g/mol, XLogP of 5.36, 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-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 2954321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).