7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one

C14H18FNO2 — CID 82173571

IUPAC7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(F)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C14H18FNO2/c1-3-4-5-12(17)9-6-10-8(2)14(18)16-13(10)11(15)7-9/h6-8,12,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyXTGIMODKOSYXMU-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.10
Rot. Bonds4

About 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one

7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173571) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173571
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCCCCC(O)c1cc(F)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C14H18FNO2/c1-3-4-5-12(17)9-6-10-8(2)14(18)16-13(10)11(15)7-9/h6-8,12,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyXTGIMODKOSYXMU-UHFFFAOYSA-N
XLogP3.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-5-(1-hydroxypentyl)-3-methyl-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 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one (CID 82173571) is 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one is CCCCC(O)c1cc(F)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is XTGIMODKOSYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-4-5-12(17)9-6-10-8(2)14(18)16-13(10)11(15)7-9/h6-8,12,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one?
7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 251.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-hydroxypentyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).