3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one

C18H18FNO2 — CID 82172528

IUPAC3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C)cc2C(O)c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-3-11-13-8-10(2)9-14(16(13)20-18(11)22)17(21)12-6-4-5-7-15(12)19/h4-9,11,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyUQECVRGPRHIODG-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.66
Rot. Bonds3

About 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one

3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 82172528) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID82172528
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C)cc2C(O)c1ccccc1F
InChIInChI=1S/C18H18FNO2/c1-3-11-13-8-10(2)9-14(16(13)20-18(11)22)17(21)12-6-4-5-7-15(12)19/h4-9,11,17,21H,3H2,1-2H3,(H,20,22)
InChIKeyUQECVRGPRHIODG-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-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 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one (CID 82172528) is 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(C)cc2C(O)c1ccccc1F.
What is the InChIKey of 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is UQECVRGPRHIODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-3-11-13-8-10(2)9-14(16(13)20-18(11)22)17(21)12-6-4-5-7-15(12)19/h4-9,11,17,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one?
3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 299.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(2-fluorophenyl)-hydroxymethyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).