3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one

C19H14FNO3 — CID 2908629

IUPAC3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
SMILESC#CCN1C(=O)C(O)(CC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H14FNO3/c1-2-11-21-16-6-4-3-5-15(16)19(24,18(21)23)12-17(22)13-7-9-14(20)10-8-13/h1,3-10,24H,11-12H2
InChIKeyKZDMXOUNWBMGRW-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.27
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one

3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one (PubChem CID 2908629) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
PubChem CID2908629
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
SMILESC#CCN1C(=O)C(O)(CC(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C19H14FNO3/c1-2-11-21-16-6-4-3-5-15(16)19(24,18(21)23)12-17(22)13-7-9-14(20)10-8-13/h1,3-10,24H,11-12H2
InChIKeyKZDMXOUNWBMGRW-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Mls003115172
CID 314749
3-Hydroxy-1-methyl-3-(2-oxo-cycloheptyl)-1,3-dihydro-indol-2-one
CID 3127024
3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 3242879
3-hydroxy-5-methyl-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
CID 5734070
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3147814
3-Hydroxy-1-phenyl-3-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 3289664
3-Hydroxy-3-phenacyloxindole
CID 99051
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
methyl [3-hydroxy-2-oxo-3-(2-oxo-2-phenylethyl)-2,3-dihydro-1H-indol-1-yl]acetate
CID 2924675
1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 2924811
3-[2-(4-Aminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2925029

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one (CID 2908629) is 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one is C#CCN1C(=O)C(O)(CC(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
The InChIKey is KZDMXOUNWBMGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-2-11-21-16-6-4-3-5-15(16)19(24,18(21)23)12-17(22)13-7-9-14(20)10-8-13/h1,3-10,24H,11-12H2.
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one?
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one has a molecular weight of 323.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one is sourced from PubChem (CID 2908629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).