(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

C14H9Cl2NO4 — CID 87619166

IUPAC(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1[C@@H]2[C@@H]3O[C@@H]([C@H]4O[C@H]43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-4-1-5(16)3-6(2-4)17-13(18)7-8(14(17)19)10-12-11(21-12)9(7)20-10/h1-3,7-12H/t7-,8+,9-,10+,11-,12+
InChIKeyVUDJOGZPDSJNAO-CJXDBHJTSA-N
MW326.14 g/mol
LogP1.65
Rot. Bonds1

About (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione

(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (PubChem CID 87619166) has the molecular formula C14H9Cl2NO4 and a molecular weight of 326.14 g/mol. Its IUPAC name is (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
PubChem CID87619166
Molecular FormulaC14H9Cl2NO4
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
SMILESO=C1[C@@H]2[C@@H]3O[C@@H]([C@H]4O[C@H]43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H9Cl2NO4/c15-4-1-5(16)3-6(2-4)17-13(18)7-8(14(17)19)10-12-11(21-12)9(7)20-10/h1-3,7-12H/t7-,8+,9-,10+,11-,12+
InChIKeyVUDJOGZPDSJNAO-CJXDBHJTSA-N
XLogP1.65
TPSA59.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The IUPAC name of (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione (CID 87619166) is (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]4O[C@H]43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
The InChIKey is VUDJOGZPDSJNAO-CJXDBHJTSA-N. The full InChI is InChI=1S/C14H9Cl2NO4/c15-4-1-5(16)3-6(2-4)17-13(18)7-8(14(17)19)10-12-11(21-12)9(7)20-10/h1-3,7-12H/t7-,8+,9-,10+,11-,12+.
What are the key properties of (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione?
(1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione has a molecular weight of 326.14 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,8S,10R)-4-(3,5-dichlorophenyl)-9,11-dioxa-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione is sourced from PubChem (CID 87619166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).