4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide

C13H16F2N2OS — CID 119552534

IUPAC4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNC1
InChIInChI=1S/C13H16F2N2OS/c1-17(10-6-7-16-8-10)12(18)9-2-4-11(5-3-9)19-13(14)15/h2-5,10,13,16H,6-8H2,1H3
InChIKeySSGBPGURWFJBIH-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.44
Rot. Bonds4

About 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide

4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 119552534) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID119552534
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNC1
InChIInChI=1S/C13H16F2N2OS/c1-17(10-6-7-16-8-10)12(18)9-2-4-11(5-3-9)19-13(14)15/h2-5,10,13,16H,6-8H2,1H3
InChIKeySSGBPGURWFJBIH-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-4-(difluoromethylsulfanyl)-N-methylbenzamide
CID 55505149
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
4-(methoxymethyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553670
4-fluoro-N-methyl-3-(methylsulfanylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 122147805
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 119552534) is 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide is CN(C(=O)c1ccc(SC(F)F)cc1)C1CCNC1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is SSGBPGURWFJBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c1-17(10-6-7-16-8-10)12(18)9-2-4-11(5-3-9)19-13(14)15/h2-5,10,13,16H,6-8H2,1H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide?
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119552534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).