4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C15H21ClF2N2OS — CID 119531624

IUPAC4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H20F2N2OS.ClH/c1-2-9-19(12-7-8-18-10-12)14(20)11-3-5-13(6-4-11)21-15(16)17;/h3-6,12,15,18H,2,7-10H2,1H3;1H
InChIKeyMYKZFRUGYBUIDH-UHFFFAOYSA-N
MW350.86 g/mol
LogP3.64
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119531624) has the molecular formula C15H21ClF2N2OS and a molecular weight of 350.86 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119531624
Molecular FormulaC15H21ClF2N2OS
Molecular Weight350.86 g/mol
Exact Mass350.10
IUPAC Name4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNC1.Cl
InChIInChI=1S/C15H20F2N2OS.ClH/c1-2-9-19(12-7-8-18-10-12)14(20)11-3-5-13(6-4-11)21-15(16)17;/h3-6,12,15,18H,2,7-10H2,1H3;1H
InChIKeyMYKZFRUGYBUIDH-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
N-propyl-4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533288
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
N-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
4-(diethylsulfamoyl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119531585
N-propyl-N-pyrrolidin-3-yl-4-(sulfamoylmethyl)benzamide
CID 119530020

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119531624) is 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNC1.Cl.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is MYKZFRUGYBUIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS.ClH/c1-2-9-19(12-7-8-18-10-12)14(20)11-3-5-13(6-4-11)21-15(16)17;/h3-6,12,15,18H,2,7-10H2,1H3;1H.
What are the key properties of 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 350.86 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119531624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).