5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one

C14H10F3N3O — CID 62808776

IUPAC5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Nc1cc(F)cc(F)c1F)NC(=O)C2
InChIInChI=1S/C14H10F3N3O/c15-7-3-8(16)14(17)12(4-7)19-11-5-10-6(1-9(11)18)2-13(21)20-10/h1,3-5,19H,2,18H2,(H,20,21)
InChIKeyWFOIAUNWCMGGLP-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.92
Rot. Bonds2

About 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one

5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one (PubChem CID 62808776) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
PubChem CID62808776
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Nc1cc(F)cc(F)c1F)NC(=O)C2
InChIInChI=1S/C14H10F3N3O/c15-7-3-8(16)14(17)12(4-7)19-11-5-10-6(1-9(11)18)2-13(21)20-10/h1,3-5,19H,2,18H2,(H,20,21)
InChIKeyWFOIAUNWCMGGLP-UHFFFAOYSA-N
XLogP2.92
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-amino-6-(2,3,5-trifluoroanilino)-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

Related Compounds

5-amino-6-(3,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62809822
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
CID 62809830
6-amino-7-(2,3-difluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61075174
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43451855
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43451744
6-amino-5-fluoro-1,3-dihydroindol-2-one
CID 10103504
5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 106759462
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one (CID 62808776) is 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1Nc1cc(F)cc(F)c1F)NC(=O)C2.
What is the InChIKey of 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one?
The InChIKey is WFOIAUNWCMGGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-7-3-8(16)14(17)12(4-7)19-11-5-10-6(1-9(11)18)2-13(21)20-10/h1,3-5,19H,2,18H2,(H,20,21).
What are the key properties of 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one?
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one has a molecular weight of 293.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62808776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).