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5-(4-Amino-benzoyl)-1,3-dihydro-indol-2-one

HCID 64423623
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(C(=O)c2ccc3c(c2)CC(=O)N3)cc1
InChIKey
SMHLQZIQMOODKQ-UHFFFAOYSA-N
Molecular formula
C15H12N2O2
Average molar mass
252.27 g/mol
Monoisotopic mass
252.08987763

Names & identifiers

Preferred name
5-(4-Amino-benzoyl)-1,3-dihydro-indol-2-one
IUPAC
5-(4-aminobenzoyl)-1,3-dihydroindol-2-one

Names & synonyms

920002-51-3SCHEMBL3569829SMHLQZIQMOODKQ-UHFFFAOYSA-NAKOS013746657DA-386615-(4-Amino-benzoyl)-1,3-dihydro-indol-2-one

Database identifiers

PubChem CID
64423623

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
72.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
374

Related reactions

3 records
New reaction record
HRID 304869 reaction equation
HRID 304869As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 640829 reaction equation
HRID 640829As reactantuspto-grants-2010_04
HRID 2352767 reaction equation
HRID 2352767As reactantuspto-grants-2010_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes