2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C18H14ClNO2 — CID 134114370

IUPAC2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H14ClNO2/c19-15-9-10-16(12-6-2-1-5-11(12)15)20-17(21)13-7-3-4-8-14(13)18(20)22/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyYWMLPUOCYCNLSV-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.24
Rot. Bonds1

About 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 134114370) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID134114370
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H14ClNO2/c19-15-9-10-16(12-6-2-1-5-11(12)15)20-17(21)13-7-3-4-8-14(13)18(20)22/h1-2,5-6,9-10H,3-4,7-8H2
InChIKeyYWMLPUOCYCNLSV-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-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 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 134114370) is 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is YWMLPUOCYCNLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-15-9-10-16(12-6-2-1-5-11(12)15)20-17(21)13-7-3-4-8-14(13)18(20)22/h1-2,5-6,9-10H,3-4,7-8H2.
What are the key properties of 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 311.77 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 134114370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).