N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide

C17H14ClF4NOS — CID 55583835

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H14ClF4NOS/c1-10(11-5-7-12(19)8-6-11)25-9-15(24)23-16-13(17(20,21)22)3-2-4-14(16)18/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyGRWBYCOMYBKWPF-UHFFFAOYSA-N
MW391.82 g/mol
LogP5.93
Rot. Bonds5

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide (PubChem CID 55583835) has the molecular formula C17H14ClF4NOS and a molecular weight of 391.82 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
PubChem CID55583835
Molecular FormulaC17H14ClF4NOS
Molecular Weight391.82 g/mol
Exact Mass391.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
SMILESCC(SCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C17H14ClF4NOS/c1-10(11-5-7-12(19)8-6-11)25-9-15(24)23-16-13(17(20,21)22)3-2-4-14(16)18/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyGRWBYCOMYBKWPF-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.82
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55909370
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 47023736
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007808
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915268
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60540976
2-[1-(4-fluorophenyl)ethylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 60540977
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-[2-chloro-6-(trifluoromethyl)phenyl]acetamide
CID 16510606

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide (CID 55583835) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide is CC(SCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide?
The InChIKey is GRWBYCOMYBKWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4NOS/c1-10(11-5-7-12(19)8-6-11)25-9-15(24)23-16-13(17(20,21)22)3-2-4-14(16)18/h2-8,10H,9H2,1H3,(H,23,24).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide has a molecular weight of 391.82 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide is sourced from PubChem (CID 55583835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).