4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone

C16H11Cl2NO4 — CID 3551564

IUPAC4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
SMILESO=C1CC2C(=O)CC1C1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C21
InChIInChI=1S/C16H11Cl2NO4/c17-6-1-7(18)3-8(2-6)19-15(22)13-9-4-11(20)10(5-12(9)21)14(13)16(19)23/h1-3,9-10,13-14H,4-5H2
InChIKeyJWCLYULVJORWMV-UHFFFAOYSA-N
MW352.17 g/mol
LogP2.28
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone

4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone (PubChem CID 3551564) has the molecular formula C16H11Cl2NO4 and a molecular weight of 352.17 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
PubChem CID3551564
Molecular FormulaC16H11Cl2NO4
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
SMILESO=C1CC2C(=O)CC1C1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C21
InChIInChI=1S/C16H11Cl2NO4/c17-6-1-7(18)3-8(2-6)19-15(22)13-9-4-11(20)10(5-12(9)21)14(13)16(19)23/h1-3,9-10,13-14H,4-5H2
InChIKeyJWCLYULVJORWMV-UHFFFAOYSA-N
XLogP2.28
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.17
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone?
The IUPAC name of 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone (CID 3551564) is 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone?
The canonical SMILES for 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone is O=C1CC2C(=O)CC1C1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C21.
What is the InChIKey of 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone?
The InChIKey is JWCLYULVJORWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO4/c17-6-1-7(18)3-8(2-6)19-15(22)13-9-4-11(20)10(5-12(9)21)14(13)16(19)23/h1-3,9-10,13-14H,4-5H2.
What are the key properties of 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone?
4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone has a molecular weight of 352.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone is sourced from PubChem (CID 3551564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).