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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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).