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

C15H19FN2O2 — CID 80758932

IUPAC6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(c1cc2c(cc1F)C(O)C(=O)N2)C1CCCCC1
InChIInChI=1S/C15H19FN2O2/c1-18(9-5-3-2-4-6-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9,14,19H,2-6H2,1H3,(H,17,20)
InChIKeyRSINDLLYIBKMII-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.58
Rot. Bonds2

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

6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758932) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758932
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESCN(c1cc2c(cc1F)C(O)C(=O)N2)C1CCCCC1
InChIInChI=1S/C15H19FN2O2/c1-18(9-5-3-2-4-6-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9,14,19H,2-6H2,1H3,(H,17,20)
InChIKeyRSINDLLYIBKMII-UHFFFAOYSA-N
XLogP2.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758932) is 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is CN(c1cc2c(cc1F)C(O)C(=O)N2)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is RSINDLLYIBKMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-18(9-5-3-2-4-6-9)13-8-12-10(7-11(13)16)14(19)15(20)17-12/h7-9,14,19H,2-6H2,1H3,(H,17,20).
What are the key properties of 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 278.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).