2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride

C13H16ClF3N2OS — CID 119706973

IUPAC2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C13H15F3N2OS.ClH/c14-13(15,16)20-11-6-2-1-5-10(11)18-12(19)8-9-4-3-7-17-9;/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1H
InChIKeyNHAHEVAQCYJCHT-UHFFFAOYSA-N
MW340.80 g/mol
LogP3.80
Rot. Bonds4

About 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride

2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride (PubChem CID 119706973) has the molecular formula C13H16ClF3N2OS and a molecular weight of 340.80 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
PubChem CID119706973
Molecular FormulaC13H16ClF3N2OS
Molecular Weight340.80 g/mol
Exact Mass340.06
IUPAC Name2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccccc1SC(F)(F)F
InChIInChI=1S/C13H15F3N2OS.ClH/c14-13(15,16)20-11-6-2-1-5-10(11)18-12(19)8-9-4-3-7-17-9;/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1H
InChIKeyNHAHEVAQCYJCHT-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 119706966
(2R)-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104912846
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
2-(cyclopropylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60841801
N-[2-(3-fluorophenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119745790
N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43700489
N-[2-(ethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61370411
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride (CID 119706973) is 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1ccccc1SC(F)(F)F.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
The InChIKey is NHAHEVAQCYJCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS.ClH/c14-13(15,16)20-11-6-2-1-5-10(11)18-12(19)8-9-4-3-7-17-9;/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1H.
What are the key properties of 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride?
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride has a molecular weight of 340.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119706973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).