4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C13H16F2N2OS — CID 119512475

IUPAC4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C13H16F2N2OS/c14-13(15)19-11-5-3-9(4-6-11)12(18)17-8-10-2-1-7-16-10/h3-6,10,13,16H,1-2,7-8H2,(H,17,18)
InChIKeyFWPIDODNMKPXOE-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.48
Rot. Bonds5

About 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide

4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119512475) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119512475
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C13H16F2N2OS/c14-13(15)19-11-5-3-9(4-6-11)12(18)17-8-10-2-1-7-16-10/h3-6,10,13,16H,1-2,7-8H2,(H,17,18)
InChIKeyFWPIDODNMKPXOE-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfanyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120947897
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119512475) is 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is FWPIDODNMKPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c14-13(15)19-11-5-3-9(4-6-11)12(18)17-8-10-2-1-7-16-10/h3-6,10,13,16H,1-2,7-8H2,(H,17,18).
What are the key properties of 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119512475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).