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

C15H14FN3O — CID 62809830

IUPAC5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1cc(Nc2cc3c(cc2N)CC(=O)N3)ccc1F
InChIInChI=1S/C15H14FN3O/c1-8-4-10(2-3-11(8)16)18-14-7-13-9(5-12(14)17)6-15(20)19-13/h2-5,7,18H,6,17H2,1H3,(H,19,20)
InChIKeyDTDUPUJAOQEMRB-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.95
Rot. Bonds2

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

5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one (PubChem CID 62809830) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
PubChem CID62809830
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
SMILESCc1cc(Nc2cc3c(cc2N)CC(=O)N3)ccc1F
InChIInChI=1S/C15H14FN3O/c1-8-4-10(2-3-11(8)16)18-14-7-13-9(5-12(14)17)6-15(20)19-13/h2-5,7,18H,6,17H2,1H3,(H,19,20)
InChIKeyDTDUPUJAOQEMRB-UHFFFAOYSA-N
XLogP2.95
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.95
H-Bond Donors ≤ 53
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-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one (CID 62809830) is 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one is Cc1cc(Nc2cc3c(cc2N)CC(=O)N3)ccc1F.
What is the InChIKey of 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one?
The InChIKey is DTDUPUJAOQEMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-8-4-10(2-3-11(8)16)18-14-7-13-9(5-12(14)17)6-15(20)19-13/h2-5,7,18H,6,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one?
5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one has a molecular weight of 271.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 62809830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).