5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one

C14H13FN2O2S — CID 80759014

IUPAC5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(Cc1cccs1)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C14H13FN2O2S/c1-17(7-8-3-2-4-20-8)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h2-6,13,18H,7H2,1H3,(H,16,19)
InChIKeyPQHQPEFKGASBNH-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.51
Rot. Bonds3

About 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one (PubChem CID 80759014) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one
PubChem CID80759014
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one
SMILESCN(Cc1cccs1)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C14H13FN2O2S/c1-17(7-8-3-2-4-20-8)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h2-6,13,18H,7H2,1H3,(H,16,19)
InChIKeyPQHQPEFKGASBNH-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-fluoro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]acetamide
CID 80758675
5-fluoro-3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 80758147
6-[2-(dimethylamino)ethyl-propylamino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80746464
5,6-difluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 61361646
6-[ethyl(2-methylpropyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758142
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
7-amino-6-[methyl(thiophen-2-ylmethyl)amino]-4H-1,4-benzoxazin-3-one
CID 43527335
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
3-acetyl-6-fluoro-1-(2-methylpropyl)-7-[methyl(thiophen-2-ylmethyl)amino]quinolin-4-one
CID 158399747
(1S)-7-(difluoromethylsulfonyl)-2,2-difluoro-4-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroinden-1-ol
CID 134259112
(2R)-N,2-dimethyl-3-oxo-N-(thiophen-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 124852411
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63059851

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one (CID 80759014) is 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one is CN(Cc1cccs1)c1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is PQHQPEFKGASBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-17(7-8-3-2-4-20-8)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h2-6,13,18H,7H2,1H3,(H,16,19).
What are the key properties of 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 292.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[methyl(thiophen-2-ylmethyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80759014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).