2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide

C20H19ClN2O3 — CID 16823179

IUPAC2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)COc4ccc(Cl)cc4)cc1c32
InChIInChI=1S/C20H19ClN2O3/c1-12-17-10-15(9-13-3-2-8-23(19(13)17)20(12)25)22-18(24)11-26-16-6-4-14(21)5-7-16/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyPIIOOAAQEYWWJV-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.75
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide

2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide (PubChem CID 16823179) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
PubChem CID16823179
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)COc4ccc(Cl)cc4)cc1c32
InChIInChI=1S/C20H19ClN2O3/c1-12-17-10-15(9-13-3-2-8-23(19(13)17)20(12)25)22-18(24)11-26-16-6-4-14(21)5-7-16/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24)
InChIKeyPIIOOAAQEYWWJV-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide 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 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide (CID 16823179) is 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide is CC1C(=O)N2CCCc3cc(NC(=O)COc4ccc(Cl)cc4)cc1c32.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The InChIKey is PIIOOAAQEYWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-17-10-15(9-13-3-2-8-23(19(13)17)20(12)25)22-18(24)11-26-16-6-4-14(21)5-7-16/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide has a molecular weight of 370.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide is sourced from PubChem (CID 16823179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).