2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C19H22ClFN2OS — CID 119552845

IUPAC2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)C(Sc1ccccc1F)c1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C19H21FN2OS.ClH/c1-22(15-11-12-21-13-15)19(23)18(14-7-3-2-4-8-14)24-17-10-6-5-9-16(17)20;/h2-10,15,18,21H,11-13H2,1H3;1H
InChIKeyBETZWYVFARCFJI-UHFFFAOYSA-N
MW380.92 g/mol
LogP3.90
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119552845) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119552845
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCN(C(=O)C(Sc1ccccc1F)c1ccccc1)C1CCNC1.Cl
InChIInChI=1S/C19H21FN2OS.ClH/c1-22(15-11-12-21-13-15)19(23)18(14-7-3-2-4-8-14)24-17-10-6-5-9-16(17)20;/h2-10,15,18,21H,11-13H2,1H3;1H
InChIKeyBETZWYVFARCFJI-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119551631
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
2-(2,5-difluorophenyl)sulfanyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535234
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119552845) is 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CN(C(=O)C(Sc1ccccc1F)c1ccccc1)C1CCNC1.Cl.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is BETZWYVFARCFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS.ClH/c1-22(15-11-12-21-13-15)19(23)18(14-7-3-2-4-8-14)24-17-10-6-5-9-16(17)20;/h2-10,15,18,21H,11-13H2,1H3;1H.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119552845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).