5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one

C15H21FN2O3 — CID 80747140

IUPAC5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCCC(CC)N(CCO)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C15H21FN2O3/c1-3-9(4-2)18(5-6-19)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9,14,19-20H,3-6H2,1-2H3,(H,17,21)
InChIKeyUVMAXDQQVVQFQE-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.80
Rot. Bonds6

About 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one

5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 80747140) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one
PubChem CID80747140
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one
SMILESCCC(CC)N(CCO)c1cc2c(cc1F)C(O)C(=O)N2
InChIInChI=1S/C15H21FN2O3/c1-3-9(4-2)18(5-6-19)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9,14,19-20H,3-6H2,1-2H3,(H,17,21)
InChIKeyUVMAXDQQVVQFQE-UHFFFAOYSA-N
XLogP1.80
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one (CID 80747140) is 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one is CCC(CC)N(CCO)c1cc2c(cc1F)C(O)C(=O)N2.
What is the InChIKey of 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is UVMAXDQQVVQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-9(4-2)18(5-6-19)13-8-12-10(7-11(13)16)14(20)15(21)17-12/h7-9,14,19-20H,3-6H2,1-2H3,(H,17,21).
What are the key properties of 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one?
5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 296.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 80747140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).