5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one

C16H16FN3O — CID 43451655

IUPAC5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one
SMILESCN(Cc1cccc(F)c1)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H16FN3O/c1-20(9-10-3-2-4-12(17)5-10)15-8-14-11(6-13(15)18)7-16(21)19-14/h2-6,8H,7,9,18H2,1H3,(H,19,21)
InChIKeyQFUWHMSOCHJYHW-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.54
Rot. Bonds3

About 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one

5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one (PubChem CID 43451655) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one
PubChem CID43451655
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one
SMILESCN(Cc1cccc(F)c1)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C16H16FN3O/c1-20(9-10-3-2-4-12(17)5-10)15-8-14-11(6-13(15)18)7-16(21)19-14/h2-6,8H,7,9,18H2,1H3,(H,19,21)
InChIKeyQFUWHMSOCHJYHW-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one (CID 43451655) is 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one is CN(Cc1cccc(F)c1)c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one?
The InChIKey is QFUWHMSOCHJYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20(9-10-3-2-4-12(17)5-10)15-8-14-11(6-13(15)18)7-16(21)19-14/h2-6,8H,7,9,18H2,1H3,(H,19,21).
What are the key properties of 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3-fluorophenyl)methyl-methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).