2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione

C19H12ClNO3 — CID 155520472

IUPAC2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(c1ccccc1Cl)C3=O
InChIInChI=1S/C19H12ClNO3/c1-24-17-8-4-5-11-9-13-14(10-12(11)17)19(23)21(18(13)22)16-7-3-2-6-15(16)20/h2-10H,1H3
InChIKeyNLLBNZMYCPCJLP-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.30
Rot. Bonds2

About 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione

2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione (PubChem CID 155520472) has the molecular formula C19H12ClNO3 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione
PubChem CID155520472
Molecular FormulaC19H12ClNO3
Molecular Weight337.76 g/mol
Exact Mass337.05
IUPAC Name2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(c1ccccc1Cl)C3=O
InChIInChI=1S/C19H12ClNO3/c1-24-17-8-4-5-11-9-13-14(10-12(11)17)19(23)21(18(13)22)16-7-3-2-6-15(16)20/h2-10H,1H3
InChIKeyNLLBNZMYCPCJLP-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-5-methoxybenzo[f]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

N-(2-chlorophenyl)-3-methoxy-2-naphthamide
CID 768464
2-(4-methoxyphenyl)-1H-benzo[f]isoindole-1,3(2H)-dione
CID 5124165
5-Chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
CID 44575026
2-(2-Ethylphenyl)-5-methoxybenzo[f]isoindole-1,3-dione
CID 155553921
5-Methoxy-2-(2-methoxyphenyl)benzo[f]isoindole-1,3-dione
CID 155512494
5-Methoxy-2-(3-methylphenyl)benzo[f]isoindole-1,3-dione
CID 155532097
2-(4-Ethylphenyl)-5-methoxybenzo[f]isoindole-1,3-dione
CID 155539591
2-[2-(2-Chlorophenyl)ethyl]-5-methoxybenzo[f]isoindole-1,3-dione
CID 155541560
5-Methoxy-2-(3-methoxyphenyl)benzo[f]isoindole-1,3-dione
CID 155542188
2-(4-Butylphenyl)-5-methoxybenzo[f]isoindole-1,3-dione
CID 155543970
2-[(2-Chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
CID 155548678
5-Methoxy-2-[2-(trifluoromethyl)phenyl]benzo[f]isoindole-1,3-dione
CID 155562571

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione (CID 155520472) is 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione is COc1cccc2cc3c(cc12)C(=O)N(c1ccccc1Cl)C3=O.
What is the InChIKey of 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione?
The InChIKey is NLLBNZMYCPCJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO3/c1-24-17-8-4-5-11-9-13-14(10-12(11)17)19(23)21(18(13)22)16-7-3-2-6-15(16)20/h2-10H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione?
2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione has a molecular weight of 337.76 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155520472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).