3-((4-Methoxyphenyl)amino)indolin-2-one
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Basic information
- CAS
1099622-05-5- Standard SMILES
COc1ccc(NC2C(=O)Nc3ccccc32)cc1- InChIKey
IHUCRSMGSNYTLO-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2
- Average molar mass
- 254.28 g/mol
- Monoisotopic mass
- 254.10552769
Names & identifiers
- Preferred name
- 3-((4-Methoxyphenyl)amino)indolin-2-one
- IUPAC
- 3-(4-methoxyanilino)-1,3-dihydroindol-2-one
- English name
- 3-[(4-Methoxyphenyl)amino]-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C15H14N2O2
- Molecular weight
- 254.28
Names & synonyms
1099622-05-53-((4-Methoxyphenyl)amino)indolin-2-one3-[(4-methoxyphenyl)amino]-1,3-dihydro-2H-indol-2-one3-(4-methoxyanilino)-1,3-dihydroindol-2-one3-[(4-methoxyphenyl)amino]-2,3-dihydro-1H-indol-2-oneMFCD120309663-(4-methoxyanilino)indolin-2-oneAKOS000241843AKOS016347224SB65160LS-05254CS-0365461
Show more names
MLS-0437155.00012H-indol-2-one, 1,3-dihydro-3-[(4-methoxyphenyl)amino]-
Database identifiers
- CAS
1099622-05-5- PubChem CID
- 43196585
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 477.3 · 477.3±45.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.40(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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