2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione

C20H19ClN2O3 — CID 162376735

IUPAC2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
SMILESNC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(C2CC2)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c21-18-10-13(12-5-6-12)7-8-14(18)9-15(22)11-26-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-4,7-8,10,12,15H,5-6,9,11,22H2
InChIKeyQZLRCNDFRRPKEW-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione

2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione (PubChem CID 162376735) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
PubChem CID162376735
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
SMILESNC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(C2CC2)cc1Cl
InChIInChI=1S/C20H19ClN2O3/c21-18-10-13(12-5-6-12)7-8-14(18)9-15(22)11-26-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-4,7-8,10,12,15H,5-6,9,11,22H2
InChIKeyQZLRCNDFRRPKEW-UHFFFAOYSA-N
XLogP3.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]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

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione (CID 162376735) is 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione is NC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(C2CC2)cc1Cl.
What is the InChIKey of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
The InChIKey is QZLRCNDFRRPKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-18-10-13(12-5-6-12)7-8-14(18)9-15(22)11-26-23-19(24)16-3-1-2-4-17(16)20(23)25/h1-4,7-8,10,12,15H,5-6,9,11,22H2.
What are the key properties of 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione?
2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione has a molecular weight of 370.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione is sourced from PubChem (CID 162376735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).