7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one

C24H26Cl2N2O — CID 123675177

IUPAC7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
SMILESO=C1NCC2(N3CCCC3)CCC1C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H26Cl2N2O/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)15-23(28-13-1-2-14-28)12-11-21(24)22(29)27-16-23/h3-10,21H,1-2,11-16H2,(H,27,29)
InChIKeyZJWSDCFIURJWEO-UHFFFAOYSA-N
MW429.39 g/mol
LogP5.04
Rot. Bonds3

About 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one

7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one (PubChem CID 123675177) has the molecular formula C24H26Cl2N2O and a molecular weight of 429.39 g/mol. Its IUPAC name is 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one.

Molecular Properties

Compound Name7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
PubChem CID123675177
Molecular FormulaC24H26Cl2N2O
Molecular Weight429.39 g/mol
Exact Mass428.14
IUPAC Name7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
SMILESO=C1NCC2(N3CCCC3)CCC1C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H26Cl2N2O/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)15-23(28-13-1-2-14-28)12-11-21(24)22(29)27-16-23/h3-10,21H,1-2,11-16H2,(H,27,29)
InChIKeyZJWSDCFIURJWEO-UHFFFAOYSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one with MolForge

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Related Compounds

7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one
CID 67037746
(7S,8S)-7,8-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 44585576
5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
CID 84788394
1-[1-(3-chloro-4-fluorophenyl)cyclohexyl]pyrrolidine
CID 174316322
6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
CID 51347067
bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-chlorophenyl)cyclopropyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636296
(1S,5S,7S,8S)-7-(4-chlorophenyl)-8-phenyl-5-pyrrolidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 56958056
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-chlorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 3045886
3-(4-chlorophenyl)-3-hydroxyazetidin-2-one
CID 169291636

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The IUPAC name of 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one (CID 123675177) is 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one.
What is the SMILES notation for 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The canonical SMILES for 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one is O=C1NCC2(N3CCCC3)CCC1C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C2.
What is the InChIKey of 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
The InChIKey is ZJWSDCFIURJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O/c25-19-7-3-17(4-8-19)24(18-5-9-20(26)10-6-18)15-23(28-13-1-2-14-28)12-11-21(24)22(29)27-16-23/h3-10,21H,1-2,11-16H2,(H,27,29).
What are the key properties of 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one?
7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one has a molecular weight of 429.39 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(4-chlorophenyl)-5-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-2-one is sourced from PubChem (CID 123675177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).