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

C16H15FN2O — CID 143719434

IUPAC5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCNc1ccc(CC2C(=O)Nc3ccc(F)cc32)cc1
InChIInChI=1S/C16H15FN2O/c1-18-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)19-16(14)20/h2-7,9,14,18H,8H2,1H3,(H,19,20)
InChIKeyLHWUHEGKHIHBOE-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.15
Rot. Bonds3

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

5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one (PubChem CID 143719434) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
PubChem CID143719434
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCNc1ccc(CC2C(=O)Nc3ccc(F)cc32)cc1
InChIInChI=1S/C16H15FN2O/c1-18-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)19-16(14)20/h2-7,9,14,18H,8H2,1H3,(H,19,20)
InChIKeyLHWUHEGKHIHBOE-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-(hydroxymethyl)-1,3-dihydroindol-2-one
CID 131358029
(3R)-3-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367502
5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
N-[3-[[(3R)-5-fluoro-2-oxo-1,3-dihydroindol-3-yl]methyl]phenyl]-4-methoxybenzamide
CID 171037338
3-(cyclohexylmethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 106986983
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-[(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 123532851
5-fluoro-3-(3-methylbutan-2-yl)-1,3-dihydroindol-2-one
CID 106986781
3-[(4-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912552
5-fluoro-3-(4-hydroxyanilino)-1,3-dihydroindol-2-one
CID 43742739
5-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124316

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one (CID 143719434) is 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one is CNc1ccc(CC2C(=O)Nc3ccc(F)cc32)cc1.
What is the InChIKey of 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is LHWUHEGKHIHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-18-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)19-16(14)20/h2-7,9,14,18H,8H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 270.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 143719434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).