5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one

C16H14F2N2O — CID 82796773

IUPAC5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(F)c(C(N)c2ccc3c(c2)CC(=O)N3)c1F
InChIInChI=1S/C16H14F2N2O/c1-8-2-4-11(17)14(15(8)18)16(19)9-3-5-12-10(6-9)7-13(21)20-12/h2-6,16H,7,19H2,1H3,(H,20,21)
InChIKeyCLIGASYLXIKPSW-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.82
Rot. Bonds2

About 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one

5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 82796773) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID82796773
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(F)c(C(N)c2ccc3c(c2)CC(=O)N3)c1F
InChIInChI=1S/C16H14F2N2O/c1-8-2-4-11(17)14(15(8)18)16(19)9-3-5-12-10(6-9)7-13(21)20-12/h2-6,16H,7,19H2,1H3,(H,20,21)
InChIKeyCLIGASYLXIKPSW-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
5-[amino-(3-chloro-4-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 103400598
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484803
5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62553297
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one (CID 82796773) is 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one is Cc1ccc(F)c(C(N)c2ccc3c(c2)CC(=O)N3)c1F.
What is the InChIKey of 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is CLIGASYLXIKPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-8-2-4-11(17)14(15(8)18)16(19)9-3-5-12-10(6-9)7-13(21)20-12/h2-6,16H,7,19H2,1H3,(H,20,21).
What are the key properties of 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 288.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82796773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).