2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide

C13H16FN3O2 — CID 43567793

IUPAC2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C13H16FN3O2/c1-7(2)16-11(18)6-15-12-9-4-3-8(14)5-10(9)17-13(12)19/h3-5,7,12,15H,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWJLVTVMGQXYTHX-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.93
Rot. Bonds4

About 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide

2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide (PubChem CID 43567793) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
PubChem CID43567793
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC1C(=O)Nc2cc(F)ccc21
InChIInChI=1S/C13H16FN3O2/c1-7(2)16-11(18)6-15-12-9-4-3-8(14)5-10(9)17-13(12)19/h3-5,7,12,15H,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyWJLVTVMGQXYTHX-UHFFFAOYSA-N
XLogP0.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
CID 43203494
methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
CID 43726107
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
N-methyl-2-[(2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 43214747
6-fluoro-3-(pyridin-4-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204826
(3R)-6-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 96670291
4-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]benzoic acid
CID 43321623
6-fluoro-3-(1H-pyrazol-5-ylmethylamino)-1,3-dihydroindol-2-one
CID 114993104
6-fluoro-3-[1-(furan-2-yl)ethylamino]-1,3-dihydroindol-2-one
CID 43535493
6-fluoro-3-(3-pyrrolidin-1-ylpropylamino)-1,3-dihydroindol-2-one
CID 43203891
3-[(1-acetylpiperidin-4-yl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 43745994
6-fluoro-3-(furan-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 16771645

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide (CID 43567793) is 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC1C(=O)Nc2cc(F)ccc21.
What is the InChIKey of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is WJLVTVMGQXYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(2)16-11(18)6-15-12-9-4-3-8(14)5-10(9)17-13(12)19/h3-5,7,12,15H,6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide?
2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 265.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43567793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).