N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride

C19H23ClF3N3O2 — CID 119456665

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O2.ClH/c20-19(21,22)12-6-11(7-16(8-12)25-5-1-2-17(25)26)18(27)24-15-9-13-3-4-14(10-15)23-13;/h6-8,13-15,23H,1-5,9-10H2,(H,24,27);1H
InChIKeyCCZNPDLAHYQHOP-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.27
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119456665) has the molecular formula C19H23ClF3N3O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119456665
Molecular FormulaC19H23ClF3N3O2
Molecular Weight417.86 g/mol
Exact Mass417.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3N3O2.ClH/c20-19(21,22)12-6-11(7-16(8-12)25-5-1-2-17(25)26)18(27)24-15-9-13-3-4-14(10-15)23-13;/h6-8,13-15,23H,1-5,9-10H2,(H,24,27);1H
InChIKeyCCZNPDLAHYQHOP-UHFFFAOYSA-N
XLogP3.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
CID 119425956
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119383232
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403
1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 119561222
N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119641158
(2R)-3-methyl-2-[[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 119369481
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxo-1,3-diazinan-1-yl)benzamide;hydrochloride
CID 119459683
N-(2-methylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 120601523
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119598455
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 136523359

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 119456665) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is CCZNPDLAHYQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2.ClH/c20-19(21,22)12-6-11(7-16(8-12)25-5-1-2-17(25)26)18(27)24-15-9-13-3-4-14(10-15)23-13;/h6-8,13-15,23H,1-5,9-10H2,(H,24,27);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 417.86 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119456665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).