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

C14H12FN3O — CID 43451771

IUPAC5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Nc1ccc(F)cc1)NC(=O)C2
InChIInChI=1S/C14H12FN3O/c15-9-1-3-10(4-2-9)17-13-7-12-8(5-11(13)16)6-14(19)18-12/h1-5,7,17H,6,16H2,(H,18,19)
InChIKeyIFOGHFOAXSNWTA-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.65
Rot. Bonds2

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

5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one (PubChem CID 43451771) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
PubChem CID43451771
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1Nc1ccc(F)cc1)NC(=O)C2
InChIInChI=1S/C14H12FN3O/c15-9-1-3-10(4-2-9)17-13-7-12-8(5-11(13)16)6-14(19)18-12/h1-5,7,17H,6,16H2,(H,18,19)
InChIKeyIFOGHFOAXSNWTA-UHFFFAOYSA-N
XLogP2.65
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.65
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

5-amino-6-(4-fluoro-3-methylanilino)-1,3-dihydroindol-2-one
CID 62809830
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
5-amino-6-(2,3,5-trifluoroanilino)-1,3-dihydroindol-2-one
CID 62808776
5-amino-6-(3-fluoro-4-methoxyanilino)-1,3-dihydroindol-2-one
CID 43451855
5-amino-6-[2-(dimethylamino)anilino]-1,3-dihydroindol-2-one
CID 106759462
6-amino-7-(2-chloro-5-fluoroanilino)-3,4-dihydro-1H-quinolin-2-one
CID 107526799
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-4-bromobenzonitrile
CID 107797097
5-amino-6-(cyclopropylamino)-1,3-dihydroindol-2-one
CID 43451663
5-(2-amino-5-methylanilino)-1,3-dihydroindol-2-one
CID 115126207
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one (CID 43451771) is 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one is Nc1cc2c(cc1Nc1ccc(F)cc1)NC(=O)C2.
What is the InChIKey of 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one?
The InChIKey is IFOGHFOAXSNWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-9-1-3-10(4-2-9)17-13-7-12-8(5-11(13)16)6-14(19)18-12/h1-5,7,17H,6,16H2,(H,18,19).
What are the key properties of 5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one?
5-amino-6-(4-fluoroanilino)-1,3-dihydroindol-2-one has a molecular weight of 257.27 g/mol, XLogP of 2.65, 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-fluoroanilino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).