3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one

C15H12FNO — CID 132524924

IUPAC3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1c1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c1-17-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15(17)18/h2-9,14H,1H3
InChIKeyMGJJEPQTRGZIQW-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.00
Rot. Bonds1

About 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one

3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one (PubChem CID 132524924) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
PubChem CID132524924
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
SMILESCN1C(=O)c2ccccc2C1c1ccc(F)cc1
InChIInChI=1S/C15H12FNO/c1-17-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15(17)18/h2-9,14H,1H3
InChIKeyMGJJEPQTRGZIQW-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
(5R)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
CID 845548
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 13308582
6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
CID 59051726
(2S,12S)-12-(4-fluorophenyl)-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaen-9-one
CID 7094447
(2S,12R)-12-(4-fluorophenyl)-10,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),3,5,7,14,16,18-heptaen-9-one
CID 7094450
methyl (1R)-6-fluoro-1-(4-fluorophenyl)-2-methyl-3-oxo-1,4-dihydroisoquinoline-4-carboxylate
CID 146164336
ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 91409166
(3R)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066037
3,3,4,4-tetramethyl-2,10b-dihydropyrazino[1,2-b]isoindole-1,6-dione
CID 23456596
(3R)-2-butyl-3-(4-fluorophenyl)sulfanyl-3H-isoindol-1-one
CID 7315996

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one (CID 132524924) is 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one is CN1C(=O)c2ccccc2C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one?
The InChIKey is MGJJEPQTRGZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c1-17-14(10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)15(17)18/h2-9,14H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one?
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one has a molecular weight of 241.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 132524924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).