2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C10H9ClF3NOS — CID 43167988

IUPAC2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C10H9ClF3NOS/c11-5-9(16)15-7-3-1-2-4-8(7)17-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyJNGNLAUXYNTYNY-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide

2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 43167988) has the molecular formula C10H9ClF3NOS and a molecular weight of 283.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID43167988
Molecular FormulaC10H9ClF3NOS
Molecular Weight283.70 g/mol
Exact Mass283.00
IUPAC Name2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C10H9ClF3NOS/c11-5-9(16)15-7-3-1-2-4-8(7)17-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyJNGNLAUXYNTYNY-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-[2-(2,2,2-trifluoroethylsulfanyl)anilino]butanoic acid
CID 43579901
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
2-chloro-N-[2-[3-[2-[(2-chloroacetyl)amino]phenyl]sulfanylpropylsulfanyl]phenyl]acetamide
CID 16679797
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]ethyl]propanamide
CID 47033314
2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 46419999
2-(4-bromophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 16609515
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46531618

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 43167988) is 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is O=C(CCl)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is JNGNLAUXYNTYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NOS/c11-5-9(16)15-7-3-1-2-4-8(7)17-6-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 283.70 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 43167988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).