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

C17H16ClFN2O2 — CID 10544736

IUPAC7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(F)cc3)ccc(Cl)c2N1
InChIInChI=1S/C17H16ClFN2O2/c18-14-5-6-15(13-9-16(22)21-17(13)14)23-8-7-20-10-11-1-3-12(19)4-2-11/h1-6,20H,7-10H2,(H,21,22)
InChIKeyLYCHDJRJSBEWKP-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.14
Rot. Bonds6

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

7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10544736) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10544736
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(F)cc3)ccc(Cl)c2N1
InChIInChI=1S/C17H16ClFN2O2/c18-14-5-6-15(13-9-16(22)21-17(13)14)23-8-7-20-10-11-1-3-12(19)4-2-11/h1-6,20H,7-10H2,(H,21,22)
InChIKeyLYCHDJRJSBEWKP-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10544736) is 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3ccc(F)cc3)ccc(Cl)c2N1.
What is the InChIKey of 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is LYCHDJRJSBEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-14-5-6-15(13-9-16(22)21-17(13)14)23-8-7-20-10-11-1-3-12(19)4-2-11/h1-6,20H,7-10H2,(H,21,22).
What are the key properties of 7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-[(4-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 334.78 g/mol, XLogP of 3.14, 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-fluorophenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10544736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).