4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione

C19H15Cl4NO2 — CID 10788794

IUPAC4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCCCCc1ccccc1
InChIInChI=1S/C19H15Cl4NO2/c20-14-12-13(15(21)17(23)16(14)22)19(26)24(18(12)25)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyWGJQRZJWAYSTCK-UHFFFAOYSA-N
MW431.15 g/mol
LogP6.31
Rot. Bonds6

About 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione

4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione (PubChem CID 10788794) has the molecular formula C19H15Cl4NO2 and a molecular weight of 431.15 g/mol. Its IUPAC name is 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione
PubChem CID10788794
Molecular FormulaC19H15Cl4NO2
Molecular Weight431.15 g/mol
Exact Mass428.99
IUPAC Name4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCCCCc1ccccc1
InChIInChI=1S/C19H15Cl4NO2/c20-14-12-13(15(21)17(23)16(14)22)19(26)24(18(12)25)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyWGJQRZJWAYSTCK-UHFFFAOYSA-N
XLogP6.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.15
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-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 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione?
The IUPAC name of 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione (CID 10788794) is 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione.
What is the SMILES notation for 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione?
The canonical SMILES for 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione is O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCCCCc1ccccc1.
What is the InChIKey of 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione?
The InChIKey is WGJQRZJWAYSTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl4NO2/c20-14-12-13(15(21)17(23)16(14)22)19(26)24(18(12)25)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione?
4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione has a molecular weight of 431.15 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrachloro-2-(5-phenylpentyl)isoindole-1,3-dione is sourced from PubChem (CID 10788794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).