3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

C17H16FNO2 — CID 82172242

IUPAC3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2ccc(C(O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FNO2/c1-2-13-14-9-11(5-8-15(14)19-17(13)21)16(20)10-3-6-12(18)7-4-10/h3-9,13,16,20H,2H2,1H3,(H,19,21)
InChIKeyDROYVJGFNSHIAE-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.35
Rot. Bonds3

About 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one

3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (PubChem CID 82172242) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
PubChem CID82172242
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2ccc(C(O)c3ccc(F)cc3)cc21
InChIInChI=1S/C17H16FNO2/c1-2-13-14-9-11(5-8-15(14)19-17(13)21)16(20)10-3-6-12(18)7-4-10/h3-9,13,16,20H,2H2,1H3,(H,19,21)
InChIKeyDROYVJGFNSHIAE-UHFFFAOYSA-N
XLogP3.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one (CID 82172242) is 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is CCC1C(=O)Nc2ccc(C(O)c3ccc(F)cc3)cc21.
What is the InChIKey of 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
The InChIKey is DROYVJGFNSHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-2-13-14-9-11(5-8-15(14)19-17(13)21)16(20)10-3-6-12(18)7-4-10/h3-9,13,16,20H,2H2,1H3,(H,19,21).
What are the key properties of 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one?
3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(4-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).