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

C20H14ClNO3 — CID 155548678

IUPAC2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1Cl)C3=O
InChIInChI=1S/C20H14ClNO3/c1-25-18-8-4-6-12-9-15-16(10-14(12)18)20(24)22(19(15)23)11-13-5-2-3-7-17(13)21/h2-10H,11H2,1H3
InChIKeyITEJVDRIUMUFEU-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.30
Rot. Bonds3

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

2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione (PubChem CID 155548678) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
PubChem CID155548678
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
SMILESCOc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1Cl)C3=O
InChIInChI=1S/C20H14ClNO3/c1-25-18-8-4-6-12-9-15-16(10-14(12)18)20(24)22(19(15)23)11-13-5-2-3-7-17(13)21/h2-10H,11H2,1H3
InChIKeyITEJVDRIUMUFEU-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-2-pentylbenzo[f]isoindole-1,3-dione
CID 148582670
2-Benzyl-5-methoxybenzo[f]isoindole-1,3-dione
CID 155511597
2-(2-Chlorophenyl)-5-methoxybenzo[f]isoindole-1,3-dione
CID 155520472
5-Methoxy-2-[(4-methoxyphenyl)methyl]benzo[f]isoindole-1,3-dione
CID 155529887
2-Tert-butyl-5-methoxybenzo[f]isoindole-1,3-dione
CID 155538416
5-Methoxy-2-propan-2-ylbenzo[f]isoindole-1,3-dione
CID 155540140
5-Methoxy-2-[(2-methoxyphenyl)methyl]benzo[f]isoindole-1,3-dione
CID 155558374
5-Methoxy-2-methylbenzo[f]isoindole-1,3-dione
CID 155569648
N-[(2-chlorophenyl)methyl]-4-(3-methylbutoxy)naphthalene-2-carboxamide
CID 162669912
2-[(4-Fluorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione
CID 155528135
2-[2-(4-Fluorophenyl)ethyl]-5-methoxybenzo[f]isoindole-1,3-dione
CID 155529087
2-Hexyl-5-methoxybenzo[f]isoindole-1,3-dione
CID 155535730

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione (CID 155548678) is 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione is COc1cccc2cc3c(cc12)C(=O)N(Cc1ccccc1Cl)C3=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
The InChIKey is ITEJVDRIUMUFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c1-25-18-8-4-6-12-9-15-16(10-14(12)18)20(24)22(19(15)23)11-13-5-2-3-7-17(13)21/h2-10H,11H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione?
2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione has a molecular weight of 351.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-methoxybenzo[f]isoindole-1,3-dione is sourced from PubChem (CID 155548678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).