8-chloro-4-methylbenzo[e]isoindole-1,3-dione

C13H8ClNO2 — CID 45484140

IUPAC8-chloro-4-methylbenzo[e]isoindole-1,3-dione
SMILESCc1cc2ccc(Cl)cc2c2c1C(=O)NC2=O
InChIInChI=1S/C13H8ClNO2/c1-6-4-7-2-3-8(14)5-9(7)11-10(6)12(16)15-13(11)17/h2-5H,1H3,(H,15,16,17)
InChIKeyWMSMUOWPYIMNGP-UHFFFAOYSA-N
MW245.66 g/mol
LogP2.69
Rot. Bonds

About 8-chloro-4-methylbenzo[e]isoindole-1,3-dione

8-chloro-4-methylbenzo[e]isoindole-1,3-dione (PubChem CID 45484140) has the molecular formula C13H8ClNO2 and a molecular weight of 245.66 g/mol. Its IUPAC name is 8-chloro-4-methylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name8-chloro-4-methylbenzo[e]isoindole-1,3-dione
PubChem CID45484140
Molecular FormulaC13H8ClNO2
Molecular Weight245.66 g/mol
Exact Mass245.02
IUPAC Name8-chloro-4-methylbenzo[e]isoindole-1,3-dione
SMILESCc1cc2ccc(Cl)cc2c2c1C(=O)NC2=O
InChIInChI=1S/C13H8ClNO2/c1-6-4-7-2-3-8(14)5-9(7)11-10(6)12(16)15-13(11)17/h2-5H,1H3,(H,15,16,17)
InChIKeyWMSMUOWPYIMNGP-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-4-methylbenzo[e]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

Related Compounds

2,3-Naphthalenedicarboximide
CID 335194
4-Methylbenzo[e]isoindole-1,3-dione
CID 45484146
5-Phenyl-1H-isoindole-1,3(2H)-dione
CID 613927
6-(4-Chlorophenyl)isoindolin-1-one
CID 49830492
4-Chloro-phthalimide
CID 231239
3-(7-Chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
3-(6-Chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512005
1H-Benz[e]isoindole-1,3(2H)-dione
CID 11513929
Stk019195
CID 223971
2-[(E)-1-chloro-1-naphthalen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione
CID 134932078
1H-naphtho[2,3-f]isoindole-1,3(2H)-dione
CID 15689780
5-Chlorobenzo[e]isoindole-1,3-dione
CID 21267688

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methylbenzo[e]isoindole-1,3-dione?
The IUPAC name of 8-chloro-4-methylbenzo[e]isoindole-1,3-dione (CID 45484140) is 8-chloro-4-methylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 8-chloro-4-methylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for 8-chloro-4-methylbenzo[e]isoindole-1,3-dione is Cc1cc2ccc(Cl)cc2c2c1C(=O)NC2=O.
What is the InChIKey of 8-chloro-4-methylbenzo[e]isoindole-1,3-dione?
The InChIKey is WMSMUOWPYIMNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO2/c1-6-4-7-2-3-8(14)5-9(7)11-10(6)12(16)15-13(11)17/h2-5H,1H3,(H,15,16,17).
What are the key properties of 8-chloro-4-methylbenzo[e]isoindole-1,3-dione?
8-chloro-4-methylbenzo[e]isoindole-1,3-dione has a molecular weight of 245.66 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 45484140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).