N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide

C13H14F4N2OS — CID 122133653

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C13H14F4N2OS/c14-9-4-3-5-10(19-6-1-2-7-19)12(9)18-11(20)8-21-13(15,16)17/h3-5H,1-2,6-8H2,(H,18,20)
InChIKeyGONDEKTXGIGPQW-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.62
Rot. Bonds4

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 122133653) has the molecular formula C13H14F4N2OS and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID122133653
Molecular FormulaC13H14F4N2OS
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C13H14F4N2OS/c14-9-4-3-5-10(19-6-1-2-7-19)12(9)18-11(20)8-21-13(15,16)17/h3-5H,1-2,6-8H2,(H,18,20)
InChIKeyGONDEKTXGIGPQW-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 119872696
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56580441
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 56580153
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 56581398
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
CID 56784776
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
CID 56581470
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide (CID 122133653) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)Nc1c(F)cccc1N1CCCC1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is GONDEKTXGIGPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2OS/c14-9-4-3-5-10(19-6-1-2-7-19)12(9)18-11(20)8-21-13(15,16)17/h3-5H,1-2,6-8H2,(H,18,20).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 322.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 122133653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).