N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide

C18H19FN2OS — CID 122135045

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C18H19FN2OS/c1-23-16-10-3-2-7-13(16)18(22)20-17-14(19)8-6-9-15(17)21-11-4-5-12-21/h2-3,6-10H,4-5,11-12H2,1H3,(H,20,22)
InChIKeyLMOCDXLDTTWERF-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.40
Rot. Bonds4

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide (PubChem CID 122135045) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
PubChem CID122135045
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1c(F)cccc1N1CCCC1
InChIInChI=1S/C18H19FN2OS/c1-23-16-10-3-2-7-13(16)18(22)20-17-14(19)8-6-9-15(17)21-11-4-5-12-21/h2-3,6-10H,4-5,11-12H2,1H3,(H,20,22)
InChIKeyLMOCDXLDTTWERF-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289649
4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
1-(2-methylsulfanylphenyl)pyrrolidine
CID 67751478
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
CID 56581470
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434
2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
CID 56784776
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 56581466
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide (CID 122135045) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1c(F)cccc1N1CCCC1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is LMOCDXLDTTWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-23-16-10-3-2-7-13(16)18(22)20-17-14(19)8-6-9-15(17)21-11-4-5-12-21/h2-3,6-10H,4-5,11-12H2,1H3,(H,20,22).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 4.40, 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-methylsulfanylbenzamide is sourced from PubChem (CID 122135045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).