5-chlorobenzo[e]isoindole-1,3-dione

C12H6ClNO2 — CID 21267688

IUPAC5-chlorobenzo[e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cc(Cl)c1ccccc21
InChIInChI=1S/C12H6ClNO2/c13-9-5-8-10(12(16)14-11(8)15)7-4-2-1-3-6(7)9/h1-5H,(H,14,15,16)
InChIKeyBMOMJYDTPRKGEN-UHFFFAOYSA-N
MW231.64 g/mol
LogP2.38
Rot. Bonds

About 5-chlorobenzo[e]isoindole-1,3-dione

5-chlorobenzo[e]isoindole-1,3-dione (PubChem CID 21267688) has the molecular formula C12H6ClNO2 and a molecular weight of 231.64 g/mol. Its IUPAC name is 5-chlorobenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name5-chlorobenzo[e]isoindole-1,3-dione
PubChem CID21267688
Molecular FormulaC12H6ClNO2
Molecular Weight231.64 g/mol
Exact Mass231.01
IUPAC Name5-chlorobenzo[e]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cc(Cl)c1ccccc21
InChIInChI=1S/C12H6ClNO2/c13-9-5-8-10(12(16)14-11(8)15)7-4-2-1-3-6(7)9/h1-5H,(H,14,15,16)
InChIKeyBMOMJYDTPRKGEN-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Naphthalenedicarboximide
CID 335194
4-Chloronaphthalene-1-carboxamide
CID 244677
8-Chloro-4-methylbenzo[e]isoindole-1,3-dione
CID 45484140
4-Methylbenzo[e]isoindole-1,3-dione
CID 45484146
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
4-Chloronaphthalene-1,8-dicarboximide
CID 3648750
4-Chloroisoindoline-1,3-dione
CID 231238
Chloro-methyl phthalimide
CID 54135966

Frequently Asked Questions

What is the IUPAC name of 5-chlorobenzo[e]isoindole-1,3-dione?
The IUPAC name of 5-chlorobenzo[e]isoindole-1,3-dione (CID 21267688) is 5-chlorobenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 5-chlorobenzo[e]isoindole-1,3-dione?
The canonical SMILES for 5-chlorobenzo[e]isoindole-1,3-dione is O=C1NC(=O)c2c1cc(Cl)c1ccccc21.
What is the InChIKey of 5-chlorobenzo[e]isoindole-1,3-dione?
The InChIKey is BMOMJYDTPRKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClNO2/c13-9-5-8-10(12(16)14-11(8)15)7-4-2-1-3-6(7)9/h1-5H,(H,14,15,16).
What are the key properties of 5-chlorobenzo[e]isoindole-1,3-dione?
5-chlorobenzo[e]isoindole-1,3-dione has a molecular weight of 231.64 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorobenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 21267688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).