7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one

C23H21FN2O2 — CID 10643240

IUPAC7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3cccc(-c4ccccc4)c3)ccc(F)c2N1
InChIInChI=1S/C23H21FN2O2/c24-20-9-10-21(19-14-22(27)26-23(19)20)28-12-11-25-15-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-10,13,25H,11-12,14-15H2,(H,26,27)
InChIKeySUNPULXJCJNRPQ-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.16
Rot. Bonds7

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

7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10643240) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10643240
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3cccc(-c4ccccc4)c3)ccc(F)c2N1
InChIInChI=1S/C23H21FN2O2/c24-20-9-10-21(19-14-22(27)26-23(19)20)28-12-11-25-15-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-10,13,25H,11-12,14-15H2,(H,26,27)
InChIKeySUNPULXJCJNRPQ-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.16
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-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10643240) is 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3cccc(-c4ccccc4)c3)ccc(F)c2N1.
What is the InChIKey of 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is SUNPULXJCJNRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-20-9-10-21(19-14-22(27)26-23(19)20)28-12-11-25-15-16-5-4-8-18(13-16)17-6-2-1-3-7-17/h1-10,13,25H,11-12,14-15H2,(H,26,27).
What are the key properties of 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 376.43 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[2-[(3-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10643240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).