2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide

C24H29Cl2N3O — CID 44585602

IUPAC2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide
SMILESCN(C)C12CCN(CC(N)=O)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H29Cl2N3O/c1-28(2)24-11-12-29(15-22(27)30)23(20(13-24)16-3-7-18(25)8-4-16)21(14-24)17-5-9-19(26)10-6-17/h3-10,20-21,23H,11-15H2,1-2H3,(H2,27,30)
InChIKeyCVIGCSYDCXORNJ-UHFFFAOYSA-N
MW446.42 g/mol
LogP4.51
Rot. Bonds5

About 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide

2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide (PubChem CID 44585602) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide.

Molecular Properties

Compound Name2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide
PubChem CID44585602
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide
SMILESCN(C)C12CCN(CC(N)=O)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2
InChIInChI=1S/C24H29Cl2N3O/c1-28(2)24-11-12-29(15-22(27)30)23(20(13-24)16-3-7-18(25)8-4-16)21(14-24)17-5-9-19(26)10-6-17/h3-10,20-21,23H,11-15H2,1-2H3,(H2,27,30)
InChIKeyCVIGCSYDCXORNJ-UHFFFAOYSA-N
XLogP4.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide?
The IUPAC name of 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide (CID 44585602) is 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide.
What is the SMILES notation for 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide?
The canonical SMILES for 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide is CN(C)C12CCN(CC(N)=O)C(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide?
The InChIKey is CVIGCSYDCXORNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c1-28(2)24-11-12-29(15-22(27)30)23(20(13-24)16-3-7-18(25)8-4-16)21(14-24)17-5-9-19(26)10-6-17/h3-10,20-21,23H,11-15H2,1-2H3,(H2,27,30).
What are the key properties of 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide?
2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide has a molecular weight of 446.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,8-bis(4-chlorophenyl)-5-(dimethylamino)-2-azabicyclo[3.2.2]nonan-2-yl]acetamide is sourced from PubChem (CID 44585602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).