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

C15H12ClF2NOS — CID 2409755

IUPAC2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12ClF2NOS/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)
InChIKeyPRTIBHBKPFBRPF-UHFFFAOYSA-N
MW327.78 g/mol
LogP4.84
Rot. Bonds5

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

2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (PubChem CID 2409755) has the molecular formula C15H12ClF2NOS and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
PubChem CID2409755
Molecular FormulaC15H12ClF2NOS
Molecular Weight327.78 g/mol
Exact Mass327.03
IUPAC Name2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C15H12ClF2NOS/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)
InChIKeyPRTIBHBKPFBRPF-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-4-{[4-(methylsulfanyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539504
3-(3-chlorophenyl)-4-{[4-(methylsulfanyl)phenyl]amino}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539506
3-(4-chlorophenyl)-4-((4-(methylsulfanyl)phenyl)amino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539509
N-[4-(difluoromethylsulfanyl)phenyl]-4-fluorobenzamide
CID 1548689
2-(4-chlorophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 670087
N-{4-[(difluoromethyl)sulfanyl]phenyl}-2-phenylacetamide
CID 720215
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 2094927
2-(4-chlorophenyl)-N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 71764400
N-[4-(difluoromethylsulfanyl)phenyl]-2-fluorobenzamide
CID 2308454
2-(2-Chlorophenyl)-2h-1,4-benzothiazin-3(4h)-one
CID 236670
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 756374
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
CID 4466100

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide (CID 2409755) is 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is PRTIBHBKPFBRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NOS/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-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 327.78 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 2409755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).