2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione

C96H93Cl5N6O15 — CID 158120946

About 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione

2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione (PubChem CID 158120946) has the molecular formula C96H93Cl5N6O15 and a molecular weight of 1748.09 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione
• PubChem CID: 158120946
• Molecular Formula: C96H93Cl5N6O15
• Molecular Weight: 1748.09 g/mol
• Exact Mass: 1744.51
• IUPAC Name: 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione
• SMILES: CCCC(C)Oc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.CCCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.CCN(CC)CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(O)c3C2=O)ccc1Cl
• InChI: InChI=1S/C22H25ClN2O3.C21H22ClNO3.C19H18ClNO3.C18H16ClNO3.C16H12ClNO3/c1-4-24(5-2)11-12-28-19-8-6-7-17-20(19)22(27)25(21(17)26)14-16-9-10-18(23)15(3)13-16;1-4-6-14(3)26-18-8-5-7-16-19(18)21(25)23(20(16)24)12-15-9-10-17(22)13(2)11-15;1-3-9-24-16-6-4-5-14-17(16)19(23)21(18(14)22)11-13-7-8-15(20)12(2)10-13;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12;1-9-7-10(5-6-12(9)17)8-18-15(20)11-3-2-4-13(19)14(11)16(18)21/h6-10,13H,4-5,11-12,14H2,1-3H3;5,7-11,14H,4,6,12H2,1-3H3;4-8,10H,3,9,11H2,1-2H3;4-9H,3,10H2,1-2H3;2-7,19H,8H2,1H3
• InChIKey: FRPFBYBYZVNHTC-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 247.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1748.09
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione?

The IUPAC name of 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione (CID 158120946) is 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione.

What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione?

The canonical SMILES for 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione is CCCC(C)Oc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.CCCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.CCN(CC)CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.CCOc1cccc2c1C(=O)N(Cc1ccc(Cl)c(C)c1)C2=O.Cc1cc(CN2C(=O)c3cccc(O)c3C2=O)ccc1Cl.

What is the InChIKey of 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione?

The InChIKey is FRPFBYBYZVNHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3.C21H22ClNO3.C19H18ClNO3.C18H16ClNO3.C16H12ClNO3/c1-4-24(5-2)11-12-28-19-8-6-7-17-20(19)22(27)25(21(17)26)14-16-9-10-18(23)15(3)13-16;1-4-6-14(3)26-18-8-5-7-16-19(18)21(25)23(20(16)24)12-15-9-10-17(22)13(2)11-15;1-3-9-24-16-6-4-5-14-17(16)19(23)21(18(14)22)11-13-7-8-15(20)12(2)10-13;1-3-23-15-6-4-5-13-16(15)18(22)20(17(13)21)10-12-7-8-14(19)11(2)9-12;1-9-7-10(5-6-12(9)17)8-18-15(20)11-3-2-4-13(19)14(11)16(18)21/h6-10,13H,4-5,11-12,14H2,1-3H3;5,7-11,14H,4,6,12H2,1-3H3;4-8,10H,3,9,11H2,1-2H3;4-9H,3,10H2,1-2H3;2-7,19H,8H2,1H3.

What are the key properties of 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione?

2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione has a molecular weight of 1748.09 g/mol, XLogP of 20.40, 25 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(diethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-pentan-2-yloxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-propoxyisoindole-1,3-dione is sourced from PubChem (CID 158120946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).