methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate

C13H15FN2O3 — CID 43726107

IUPACmethyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C13H15FN2O3/c1-13(2,12(18)19-3)16-10-8-5-4-7(14)6-9(8)15-11(10)17/h4-6,10,16H,1-3H3,(H,15,17)
InChIKeyUTKZOQLIRVMPHU-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate

methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate (PubChem CID 43726107) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
PubChem CID43726107
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C13H15FN2O3/c1-13(2,12(18)19-3)16-10-8-5-4-7(14)6-9(8)15-11(10)17/h4-6,10,16H,1-3H3,(H,15,17)
InChIKeyUTKZOQLIRVMPHU-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
CID 43567793
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 43745994
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzamide
CID 43193021
6-fluoro-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124339
6-fluoro-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
CID 43206333
6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
CID 43203494
3-(5-bromo-2-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43729652
3-(4-bromo-3-methylanilino)-6-fluoro-1,3-dihydroindol-2-one
CID 43192669
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate (CID 43726107) is methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC1C(=O)Nc2cc(F)ccc21.
What is the InChIKey of methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate?
The InChIKey is UTKZOQLIRVMPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-13(2,12(18)19-3)16-10-8-5-4-7(14)6-9(8)15-11(10)17/h4-6,10,16H,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate?
methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate has a molecular weight of 266.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 43726107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).