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5-Amino-7-fluoro-1-propyl-1,3-dihydro-indol-2-one

HCID 69274131
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCN1C(=O)Cc2cc(N)cc(F)c21
InChIKey
DUDNCCHMZMFXSM-UHFFFAOYSA-N
Molecular formula
C11H13FN2O
Average molar mass
208.23 g/mol
Monoisotopic mass
208.1011912

Names & identifiers

Preferred name
5-Amino-7-fluoro-1-propyl-1,3-dihydro-indol-2-one
IUPAC
5-amino-7-fluoro-1-propyl-3H-indol-2-one

Names & synonyms

SCHEMBL5001377DUDNCCHMZMFXSM-UHFFFAOYSA-N5-amino-7-fluoro-1-propyl-1,3-dihydro-indol-2-one

Database identifiers

PubChem CID
69274131

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
259

Related reactions

5 records
New reaction record
HRID 1203697 reaction equation
HRID 1203697As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1546704 reaction equation
HRID 1546704As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2114892 reaction equation
HRID 2114892As productuspto-grants-2008_10
HRID 2114893 reaction equation
HRID 2114893As reactantuspto-grants-2008_10
HRID 2114894 reaction equation
HRID 2114894As reactantuspto-grants-2008_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes