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

C23H21FN2O2 — CID 10547536

IUPAC7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(F)c2N1
InChIInChI=1S/C23H21FN2O2/c24-20-10-11-21(19-14-22(27)26-23(19)20)28-13-12-25-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,25H,12-15H2,(H,26,27)
InChIKeyPLXCESBDIJXCGL-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.16
Rot. Bonds7

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

7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10547536) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10547536
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(F)c2N1
InChIInChI=1S/C23H21FN2O2/c24-20-10-11-21(19-14-22(27)26-23(19)20)28-13-12-25-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,25H,12-15H2,(H,26,27)
InChIKeyPLXCESBDIJXCGL-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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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 9903877
Aplindore
CID 158784
2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 9883070
4-(2-Benzylamino-ethoxy)-7-chloro-1,3-dihydro-indol-2-one
CID 10313715
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10592220
4-{2-[(Biphenyl-3-ylmethyl)-amino]-ethoxy}-7-fluoro-1,3-dihydro-indol-2-one
CID 10643240
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630
7-Chloro-4-[2-(4-methyl-benzylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10711537
4-(2-Benzylamino-ethoxy)-7-fluoro-1,3-dihydro-indol-2-one
CID 10732973
4-[2-(Cyclohexylmethyl-amino)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10757042
(R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 10063875

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10547536) is 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(F)c2N1.
What is the InChIKey of 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is PLXCESBDIJXCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c24-20-10-11-21(19-14-22(27)26-23(19)20)28-13-12-25-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-11,25H,12-15H2,(H,26,27).
What are the key properties of 7-fluoro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
7-fluoro-4-[2-[(4-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-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10547536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).