5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one

C14H10F3N3O — CID 62814499

IUPAC5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Nc1cc(F)c(F)cc1F)NC(=O)C2
InChIInChI=1S/C14H10F3N3O/c15-7-3-9(17)12(4-8(7)16)19-13-5-11-6(1-10(13)18)2-14(21)20-11/h1,3-5,19H,2,18H2,(H,20,21)
InChIKeyKNIZOZHNXGVESQ-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.92
Rot. Bonds2

About 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one

5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one (PubChem CID 62814499) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
PubChem CID62814499
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Nc1cc(F)c(F)cc1F)NC(=O)C2
InChIInChI=1S/C14H10F3N3O/c15-7-3-9(17)12(4-8(7)16)19-13-5-11-6(1-10(13)18)2-14(21)20-11/h1,3-5,19H,2,18H2,(H,20,21)
InChIKeyKNIZOZHNXGVESQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one (CID 62814499) is 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1Nc1cc(F)c(F)cc1F)NC(=O)C2.
What is the InChIKey of 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one?
The InChIKey is KNIZOZHNXGVESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-7-3-9(17)12(4-8(7)16)19-13-5-11-6(1-10(13)18)2-14(21)20-11/h1,3-5,19H,2,18H2,(H,20,21).
What are the key properties of 5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one?
5-amino-6-(2,4,5-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-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62814499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).