2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

C17H15ClF3NO2S — CID 55583461

IUPAC2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C17H15ClF3NO2S/c1-11(24-14-8-4-2-6-12(14)18)16(23)22-13-7-3-5-9-15(13)25-10-17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyRZMAYZTWODMEHG-UHFFFAOYSA-N
MW389.83 g/mol
LogP5.40
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (PubChem CID 55583461) has the molecular formula C17H15ClF3NO2S and a molecular weight of 389.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
PubChem CID55583461
Molecular FormulaC17H15ClF3NO2S
Molecular Weight389.83 g/mol
Exact Mass389.05
IUPAC Name2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C17H15ClF3NO2S/c1-11(24-14-8-4-2-6-12(14)18)16(23)22-13-7-3-5-9-15(13)25-10-17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyRZMAYZTWODMEHG-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.83
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
2-methyl-N-[2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]ethyl]propanamide
CID 47033314
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 92685232
2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 55672094
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
(2S)-2-(2,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7720105

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (CID 55583461) is 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The InChIKey is RZMAYZTWODMEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2S/c1-11(24-14-8-4-2-6-12(14)18)16(23)22-13-7-3-5-9-15(13)25-10-17(19,20)21/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide has a molecular weight of 389.83 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 55583461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).