N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide

C11H11ClF3NO2S — CID 2189931

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO2S/c12-8-2-1-7(11(13,14)15)5-9(8)16-10(18)6-19-4-3-17/h1-2,5,17H,3-4,6H2,(H,16,18)
InChIKeyVRJUSEYCLSHENF-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.02
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide (PubChem CID 2189931) has the molecular formula C11H11ClF3NO2S and a molecular weight of 313.73 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide
PubChem CID2189931
Molecular FormulaC11H11ClF3NO2S
Molecular Weight313.73 g/mol
Exact Mass313.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide
SMILESO=C(CSCCO)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H11ClF3NO2S/c12-8-2-1-7(11(13,14)15)5-9(8)16-10(18)6-19-4-3-17/h1-2,5,17H,3-4,6H2,(H,16,18)
InChIKeyVRJUSEYCLSHENF-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide (CID 2189931) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide is O=C(CSCCO)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide?
The InChIKey is VRJUSEYCLSHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2S/c12-8-2-1-7(11(13,14)15)5-9(8)16-10(18)6-19-4-3-17/h1-2,5,17H,3-4,6H2,(H,16,18).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide has a molecular weight of 313.73 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-hydroxyethylsulfanyl)acetamide is sourced from PubChem (CID 2189931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).