2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione

C19H13FN2O2 — CID 141374801

IUPAC2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CN=CC=C1c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O2/c20-13-7-5-12(6-8-13)14-9-10-21-11-17(14)22-18(23)15-3-1-2-4-16(15)19(22)24/h1-10,17H,11H2/t17-/m0/s1
InChIKeyPSKDYFWTCINAEY-KRWDZBQOSA-N
MW320.32 g/mol
LogP2.96
Rot. Bonds2

About 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione

2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione (PubChem CID 141374801) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione
PubChem CID141374801
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CN=CC=C1c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O2/c20-13-7-5-12(6-8-13)14-9-10-21-11-17(14)22-18(23)15-3-1-2-4-16(15)19(22)24/h1-10,17H,11H2/t17-/m0/s1
InChIKeyPSKDYFWTCINAEY-KRWDZBQOSA-N
XLogP2.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
CID 155143259
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[(3S)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-2-oxo-4,5-dihydro-3H-azepin-3-yl]isoindole-1,3-dione
CID 69212495
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-[3-(4-fluorophenyl)phenyl]isoindole-1,3-dione
CID 168517354
2-(5-amino-3,4-dihydro-2H-pyrrol-4-yl)isoindole-1,3-dione;hydrochloride
CID 67266089
2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione (CID 141374801) is 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1CN=CC=C1c1ccc(F)cc1.
What is the InChIKey of 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione?
The InChIKey is PSKDYFWTCINAEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-13-7-5-12(6-8-13)14-9-10-21-11-17(14)22-18(23)15-3-1-2-4-16(15)19(22)24/h1-10,17H,11H2/t17-/m0/s1.
What are the key properties of 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione?
2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione has a molecular weight of 320.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(4-fluorophenyl)-2,3-dihydropyridin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 141374801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).