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

C23H21ClN2O2 — CID 10739299

IUPAC7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(Cl)c2N1
InChIInChI=1S/C23H21ClN2O2/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)
InChIKeyXJSQDZJJAFIJPV-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.67
Rot. Bonds7

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

7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10739299) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10739299
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(Cl)c2N1
InChIInChI=1S/C23H21ClN2O2/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)
InChIKeyXJSQDZJJAFIJPV-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.67
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-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10739299) is 7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is O=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(Cl)c2N1.
What is the InChIKey of 7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is XJSQDZJJAFIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/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-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-[(4-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 392.89 g/mol, XLogP of 4.67, 7 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-phenylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10739299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).