2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione

C28H16FN3O4 — CID 110189010

IUPAC2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Cc2ccc(F)cc2)c(N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C28H16FN3O4/c29-18-12-9-16(10-13-18)15-17-11-14-23(31-25(33)19-5-1-2-6-20(19)26(31)34)30-24(17)32-27(35)21-7-3-4-8-22(21)28(32)36/h1-14H,15H2
InChIKeyBZHWTJDVJJWNOD-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.41
Rot. Bonds4

About 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione

2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione (PubChem CID 110189010) has the molecular formula C28H16FN3O4 and a molecular weight of 477.45 g/mol. Its IUPAC name is 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione
PubChem CID110189010
Molecular FormulaC28H16FN3O4
Molecular Weight477.45 g/mol
Exact Mass477.11
IUPAC Name2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(Cc2ccc(F)cc2)c(N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C28H16FN3O4/c29-18-12-9-16(10-13-18)15-17-11-14-23(31-25(33)19-5-1-2-6-20(19)26(31)34)30-24(17)32-27(35)21-7-3-4-8-22(21)28(32)36/h1-14H,15H2
InChIKeyBZHWTJDVJJWNOD-UHFFFAOYSA-N
XLogP4.41
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione?
The IUPAC name of 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione (CID 110189010) is 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione?
The canonical SMILES for 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(Cc2ccc(F)cc2)c(N2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione?
The InChIKey is BZHWTJDVJJWNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16FN3O4/c29-18-12-9-16(10-13-18)15-17-11-14-23(31-25(33)19-5-1-2-6-20(19)26(31)34)30-24(17)32-27(35)21-7-3-4-8-22(21)28(32)36/h1-14H,15H2.
What are the key properties of 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione?
2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione has a molecular weight of 477.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-dioxoisoindol-2-yl)-5-[(4-fluorophenyl)methyl]-2-pyridinyl]isoindole-1,3-dione is sourced from PubChem (CID 110189010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).