5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one

C16H15FN2O — CID 43204421

IUPAC5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1cccc(CNC2C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c1-10-3-2-4-11(7-10)9-18-15-13-8-12(17)5-6-14(13)19-16(15)20/h2-8,15,18H,9H2,1H3,(H,19,20)
InChIKeyMKHAWUUWFSYQMS-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.92
Rot. Bonds3

About 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one

5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one (PubChem CID 43204421) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
PubChem CID43204421
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
SMILESCc1cccc(CNC2C(=O)Nc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c1-10-3-2-4-11(7-10)9-18-15-13-8-12(17)5-6-14(13)19-16(15)20/h2-8,15,18H,9H2,1H3,(H,19,20)
InChIKeyMKHAWUUWFSYQMS-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43181980
3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196077
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826
5-fluoro-3-(5-fluoro-2-methylanilino)-1,3-dihydroindol-2-one
CID 43195478
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
2-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
CID 43551783
5-fluoro-3-(naphthalen-1-ylamino)-1,3-dihydroindol-2-one
CID 43824875
3-(4-aminobutylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 114996534
3-(2,6-difluoroanilino)-5-methyl-1,3-dihydroindol-2-one
CID 43123963
6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
CID 114993104
3-(3,5-difluoroanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196036

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one (CID 43204421) is 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one is Cc1cccc(CNC2C(=O)Nc3ccc(F)cc32)c1.
What is the InChIKey of 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
The InChIKey is MKHAWUUWFSYQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-3-2-4-11(7-10)9-18-15-13-8-12(17)5-6-14(13)19-16(15)20/h2-8,15,18H,9H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one?
5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one has a molecular weight of 270.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(3-methylphenyl)methylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43204421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).