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

C15H14FN3O — CID 43451704

IUPAC5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCc1ccccc1F)NC(=O)C2
InChIInChI=1S/C15H14FN3O/c16-11-4-2-1-3-9(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)
InChIKeyYPNAXHKAYRQMIZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.51
Rot. Bonds3

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

5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43451704) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43451704
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCc1ccccc1F)NC(=O)C2
InChIInChI=1S/C15H14FN3O/c16-11-4-2-1-3-9(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)
InChIKeyYPNAXHKAYRQMIZ-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'}

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Related Compounds

3,3-dimethyl-7-(methylamino)-1H-indol-2-one
CID 156024950
4-(4-Benzyl-piperazin-1-yl)-1,3-dihydro-indol-2-one
CID 9995379
(E)-5-Amino-3-(4-diethylamino-benzylidene)-1,3-dihydroindol-2-one
CID 46233145
5-[3-(Trifluoromethyl)anilino]-1,3-dihydroindol-2-one
CID 86342431
N-[2-amino-4-[(2-fluorophenyl)methylamino]phenyl]heptanamide
CID 154663710
N-(2-amino-4-fluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 77846835
5,6-diamino-2,3-dihydro-1H-indol-2-one
CID 22162321
7-Aminoindolin-2-one
CID 6423312
N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 46216300
N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 46216456
N-[2-amino-4-[2-(4-fluorophenyl)ethylamino]phenyl]heptanamide
CID 154663614
N-(1-(cyclopentanecarbonyl)indolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 25850951

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one (CID 43451704) is 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCc1ccccc1F)NC(=O)C2.
What is the InChIKey of 5-amino-6-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is YPNAXHKAYRQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-11-4-2-1-3-9(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-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one?
5-amino-6-[(2-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-[(2-fluorophenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).