7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one

C17H16Cl2N2O2 — CID 10498102

IUPAC7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(Cl)cc3)ccc(Cl)c2N1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-3-1-11(2-4-12)10-20-7-8-23-15-6-5-14(19)17-13(15)9-16(22)21-17/h1-6,20H,7-10H2,(H,21,22)
InChIKeyJPSMZWRPAFVXDX-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.66
Rot. Bonds6

About 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one

7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10498102) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10498102
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(Cl)cc3)ccc(Cl)c2N1
InChIInChI=1S/C17H16Cl2N2O2/c18-12-3-1-11(2-4-12)10-20-7-8-23-15-6-5-14(19)17-13(15)9-16(22)21-17/h1-6,20H,7-10H2,(H,21,22)
InChIKeyJPSMZWRPAFVXDX-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one 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 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10498102) is 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3ccc(Cl)cc3)ccc(Cl)c2N1.
What is the InChIKey of 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is JPSMZWRPAFVXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-12-3-1-11(2-4-12)10-20-7-8-23-15-6-5-14(19)17-13(15)9-16(22)21-17/h1-6,20H,7-10H2,(H,21,22).
What are the key properties of 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 351.23 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-[(4-chlorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10498102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).