2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

C15H12BrF2NOS — CID 26908550

IUPAC2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12BrF2NOS/c16-11-3-1-10(2-4-11)9-14(20)19-12-5-7-13(8-6-12)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyYFGWIFOBOMPONJ-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.95
Rot. Bonds5

About 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide

2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 26908550) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID26908550
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC Name2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12BrF2NOS/c16-11-3-1-10(2-4-11)9-14(20)19-12-5-7-13(8-6-12)21-15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyYFGWIFOBOMPONJ-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2698696
[4-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]phenyl] carbamate
CID 69029119
2-(3,4-dichlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 2094790
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
5-chloro-N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 43440240
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914909
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2451609

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 26908550) is 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is YFGWIFOBOMPONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c16-11-3-1-10(2-4-11)9-14(20)19-12-5-7-13(8-6-12)21-15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 372.23 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 26908550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).