6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one

C15H18FN3O2 — CID 43203494

IUPAC6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18FN3O2/c16-10-3-4-11-12(9-10)18-15(21)14(11)17-6-5-13(20)19-7-1-2-8-19/h3-4,9,14,17H,1-2,5-8H2,(H,18,21)
InChIKeyPEJNXBNFHRJAJD-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.42
Rot. Bonds4

About 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one

6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43203494) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
PubChem CID43203494
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1NCCC(=O)N1CCCC1
InChIInChI=1S/C15H18FN3O2/c16-10-3-4-11-12(9-10)18-15(21)14(11)17-6-5-13(20)19-7-1-2-8-19/h3-4,9,14,17H,1-2,5-8H2,(H,18,21)
InChIKeyPEJNXBNFHRJAJD-UHFFFAOYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
5-fluoro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115673246
3-[(2,2-dimethylcyclopropyl)amino]-6-fluoro-1,3-dihydroindol-2-one
CID 115000723
5-fluoro-2-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 115681921
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
N-[3-(azocan-1-yl)-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 51118035
3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43634310
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
methyl 2-[(6-fluoro-2-oxo-1,3-dihydroindol-3-yl)amino]-2-methylpropanoate
CID 43726107
6-(azepan-1-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
CID 43586559

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one (CID 43203494) is 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1NCCC(=O)N1CCCC1.
What is the InChIKey of 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is PEJNXBNFHRJAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-10-3-4-11-12(9-10)18-15(21)14(11)17-6-5-13(20)19-7-1-2-8-19/h3-4,9,14,17H,1-2,5-8H2,(H,18,21).
What are the key properties of 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one?
6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 291.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43203494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).