2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride

C24H30Cl2N2O2 — CID 118729306

IUPAC2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride
SMILESCN(CCCCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C24H29ClN2O2.ClH/c1-26(18-19-11-10-12-20(25)17-19)15-8-4-2-3-5-9-16-27-23(28)21-13-6-7-14-22(21)24(27)29;/h6-7,10-14,17H,2-5,8-9,15-16,18H2,1H3;1H
InChIKeyFXGIWLPZNBGQGB-UHFFFAOYSA-N
MW449.42 g/mol
LogP5.83
Rot. Bonds11

About 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride

2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride (PubChem CID 118729306) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride
PubChem CID118729306
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride
SMILESCN(CCCCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C24H29ClN2O2.ClH/c1-26(18-19-11-10-12-20(25)17-19)15-8-4-2-3-5-9-16-27-23(28)21-13-6-7-14-22(21)24(27)29;/h6-7,10-14,17H,2-5,8-9,15-16,18H2,1H3;1H
InChIKeyFXGIWLPZNBGQGB-UHFFFAOYSA-N
XLogP5.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride 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-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
N-(3-Phenylallyl)phthalimide
CID 5389074
2-(4-Diethylamino-but-2-ynyl)-isoindole-1,3-dione
CID 44385509
2-[2-(1-Methyl-piperidin-4-yl)-ethyl]-isoindole-1,3-dione
CID 15153354
2-[2-(1-Cyclohexen-1-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 572777
N-phenethyl phthalimide
CID 348641

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride (CID 118729306) is 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride is CN(CCCCCCCCN1C(=O)c2ccccc2C1=O)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride?
The InChIKey is FXGIWLPZNBGQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2.ClH/c1-26(18-19-11-10-12-20(25)17-19)15-8-4-2-3-5-9-16-27-23(28)21-13-6-7-14-22(21)24(27)29;/h6-7,10-14,17H,2-5,8-9,15-16,18H2,1H3;1H.
What are the key properties of 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride?
2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride has a molecular weight of 449.42 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(3-chlorophenyl)methyl-methylamino]octyl]isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 118729306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).