N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

C15H11Cl3FNOS — CID 2798260

IUPACN-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11Cl3FNOS/c16-11-3-1-9(5-12(11)17)7-22-8-15(21)20-10-2-4-14(19)13(18)6-10/h1-6H,7-8H2,(H,20,21)
InChIKeyCSXGGZBWIVTHMW-UHFFFAOYSA-N
MW378.68 g/mol
LogP5.66
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 2798260) has the molecular formula C15H11Cl3FNOS and a molecular weight of 378.68 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID2798260
Molecular FormulaC15H11Cl3FNOS
Molecular Weight378.68 g/mol
Exact Mass376.96
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11Cl3FNOS/c16-11-3-1-9(5-12(11)17)7-22-8-15(21)20-10-2-4-14(19)13(18)6-10/h1-6H,7-8H2,(H,20,21)
InChIKeyCSXGGZBWIVTHMW-UHFFFAOYSA-N
XLogP5.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46771851
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
N-(4-bromo-2-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309874
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
CID 82182310
N-(3-chloro-4-fluorophenyl)-2-prop-2-enylsulfanylacetamide
CID 3393731
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555
N-(3-chloro-4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 7959729
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309965

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide (CID 2798260) is N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is CSXGGZBWIVTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3FNOS/c16-11-3-1-9(5-12(11)17)7-22-8-15(21)20-10-2-4-14(19)13(18)6-10/h1-6H,7-8H2,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 378.68 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2798260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).