5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one

C16H14F2N2O — CID 43484803

IUPAC5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc(F)c(F)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H14F2N2O/c1-19-16(10-2-4-12(17)13(18)7-10)9-3-5-14-11(6-9)8-15(21)20-14/h2-7,16,19H,8H2,1H3,(H,20,21)
InChIKeyCKONTAPTJWXICB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.77
Rot. Bonds3

About 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one

5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one (PubChem CID 43484803) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
PubChem CID43484803
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1ccc(F)c(F)c1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H14F2N2O/c1-19-16(10-2-4-12(17)13(18)7-10)9-3-5-14-11(6-9)8-15(21)20-14/h2-7,16,19H,8H2,1H3,(H,20,21)
InChIKeyCKONTAPTJWXICB-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[furan-3-yl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484758
5-[(3-methoxyphenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484817
5-[methylamino-(2,4,5-trimethylfuran-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65151696
5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 65237224
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
5-[2,2,3,3-tetrafluoro-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 79660978
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116949295
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one (CID 43484803) is 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one is CNC(c1ccc(F)c(F)c1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
The InChIKey is CKONTAPTJWXICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-19-16(10-2-4-12(17)13(18)7-10)9-3-5-14-11(6-9)8-15(21)20-14/h2-7,16,19H,8H2,1H3,(H,20,21).
What are the key properties of 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one?
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one has a molecular weight of 288.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43484803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).