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

C15H14FN3O — CID 43451715

IUPAC5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCc1cccc(F)c1)NC(=O)C2
InChIInChI=1S/C15H14FN3O/c16-11-3-1-2-9(4-11)8-18-14-7-13-10(5-12(14)17)6-15(20)19-13/h1-5,7,18H,6,8,17H2,(H,19,20)
InChIKeySMMPFVVYFTUABN-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.51
Rot. Bonds3

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

5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43451715) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43451715
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCc1cccc(F)c1)NC(=O)C2
InChIInChI=1S/C15H14FN3O/c16-11-3-1-2-9(4-11)8-18-14-7-13-10(5-12(14)17)6-15(20)19-13/h1-5,7,18H,6,8,17H2,(H,19,20)
InChIKeySMMPFVVYFTUABN-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 43451715) is 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCc1cccc(F)c1)NC(=O)C2.
What is the InChIKey of 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is SMMPFVVYFTUABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-11-3-1-2-9(4-11)8-18-14-7-13-10(5-12(14)17)6-15(20)19-13/h1-5,7,18H,6,8,17H2,(H,19,20).
What are the key properties of 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 271.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).