N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

C26H18FN3O5 — CID 55692711

IUPACN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C26H18FN3O5/c27-18-5-1-6-19(13-18)35-24-17(4-2-10-28-24)14-29-23(31)16-8-9-21-22(12-16)26(33)30(25(21)32)15-20-7-3-11-34-20/h1-13H,14-15H2,(H,29,31)
InChIKeyXKJQZVJOXGGVRV-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.33
Rot. Bonds7

About N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55692711) has the molecular formula C26H18FN3O5 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID55692711
Molecular FormulaC26H18FN3O5
Molecular Weight471.44 g/mol
Exact Mass471.12
IUPAC NameN-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C26H18FN3O5/c27-18-5-1-6-19(13-18)35-24-17(4-2-10-28-24)14-29-23(31)16-8-9-21-22(12-16)26(33)30(25(21)32)15-20-7-3-11-34-20/h1-13H,14-15H2,(H,29,31)
InChIKeyXKJQZVJOXGGVRV-UHFFFAOYSA-N
XLogP4.33
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide (CID 55692711) is N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XKJQZVJOXGGVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O5/c27-18-5-1-6-19(13-18)35-24-17(4-2-10-28-24)14-29-23(31)16-8-9-21-22(12-16)26(33)30(25(21)32)15-20-7-3-11-34-20/h1-13H,14-15H2,(H,29,31).
What are the key properties of N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide?
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55692711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).