4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one

C14H10ClFN2O2 — CID 68660819

IUPAC4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one
SMILESNc1ccc(Oc2ccc(F)c3c2CC(=O)N3)c(Cl)c1
InChIInChI=1S/C14H10ClFN2O2/c15-9-5-7(17)1-3-12(9)20-11-4-2-10(16)14-8(11)6-13(19)18-14/h1-5H,6,17H2,(H,18,19)
InChIKeyJAZSRNQZXKEBIE-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.35
Rot. Bonds2

About 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one

4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one (PubChem CID 68660819) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one
PubChem CID68660819
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one
SMILESNc1ccc(Oc2ccc(F)c3c2CC(=O)N3)c(Cl)c1
InChIInChI=1S/C14H10ClFN2O2/c15-9-5-7(17)1-3-12(9)20-11-4-2-10(16)14-8(11)6-13(19)18-14/h1-5H,6,17H2,(H,18,19)
InChIKeyJAZSRNQZXKEBIE-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-amino-2-chlorophenoxy)-7-fluoro-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 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one (CID 68660819) is 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one is Nc1ccc(Oc2ccc(F)c3c2CC(=O)N3)c(Cl)c1.
What is the InChIKey of 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one?
The InChIKey is JAZSRNQZXKEBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-9-5-7(17)1-3-12(9)20-11-4-2-10(16)14-8(11)6-13(19)18-14/h1-5H,6,17H2,(H,18,19).
What are the key properties of 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one?
4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one has a molecular weight of 292.70 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-chlorophenoxy)-7-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 68660819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).