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

C15H14FN3O2 — CID 43451855

IUPAC5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
SMILESCOc1ccc(Nc2cc3c(cc2N)CC(=O)N3)cc1F
InChIInChI=1S/C15H14FN3O2/c1-21-14-3-2-9(6-10(14)16)18-13-7-12-8(4-11(13)17)5-15(20)19-12/h2-4,6-7,18H,5,17H2,1H3,(H,19,20)
InChIKeyXQVBFJZWKRKPLU-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.65
Rot. Bonds3

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

5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one (PubChem CID 43451855) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
PubChem CID43451855
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
SMILESCOc1ccc(Nc2cc3c(cc2N)CC(=O)N3)cc1F
InChIInChI=1S/C15H14FN3O2/c1-21-14-3-2-9(6-10(14)16)18-13-7-12-8(4-11(13)17)5-15(20)19-12/h2-4,6-7,18H,5,17H2,1H3,(H,19,20)
InChIKeyXQVBFJZWKRKPLU-UHFFFAOYSA-N
XLogP2.65
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
CID 62809830
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
CID 43451771
5-amino-6-(3,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62809822
5-amino-6-(4-propan-2-ylanilino)-1,3-dihydroindol-2-one
CID 43451744
5-amino-6-(2,4,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62814499
1-N-(3,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 63598167
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
CID 115126207
2-(3-fluoro-4-methoxyanilino)-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
CID 59851961
1-N-(3-fluoro-4-methoxyphenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448114
7-amino-6-(4-chloro-3-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 61466760

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one (CID 43451855) is 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one is COc1ccc(Nc2cc3c(cc2N)CC(=O)N3)cc1F.
What is the InChIKey of 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
The InChIKey is XQVBFJZWKRKPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-21-14-3-2-9(6-10(14)16)18-13-7-12-8(4-11(13)17)5-15(20)19-12/h2-4,6-7,18H,5,17H2,1H3,(H,19,20).
What are the key properties of 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one?
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).