N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide

C24H17N5O4 — CID 1290337

IUPACN-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(N3C(=O)c4ccccc4C3=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H17N5O4/c1-33-17-13-11-15(12-14-17)20(30)25-23-26-24(29(27-23)16-7-3-2-4-8-16)28-21(31)18-9-5-6-10-19(18)22(28)32/h2-14H,1H3,(H,25,27,30)
InChIKeyIIWVUMZJBLGECT-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.33
Rot. Bonds5

About N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide

N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide (PubChem CID 1290337) has the molecular formula C24H17N5O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
PubChem CID1290337
Molecular FormulaC24H17N5O4
Molecular Weight439.43 g/mol
Exact Mass439.13
IUPAC NameN-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(N3C(=O)c4ccccc4C3=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H17N5O4/c1-33-17-13-11-15(12-14-17)20(30)25-23-26-24(29(27-23)16-7-3-2-4-8-16)28-21(31)18-9-5-6-10-19(18)22(28)32/h2-14H,1H3,(H,25,27,30)
InChIKeyIIWVUMZJBLGECT-UHFFFAOYSA-N
XLogP3.33
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide (CID 1290337) is N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(N3C(=O)c4ccccc4C3=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
The InChIKey is IIWVUMZJBLGECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O4/c1-33-17-13-11-15(12-14-17)20(30)25-23-26-24(29(27-23)16-7-3-2-4-8-16)28-21(31)18-9-5-6-10-19(18)22(28)32/h2-14H,1H3,(H,25,27,30).
What are the key properties of N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide?
N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide has a molecular weight of 439.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-dioxoisoindol-2-yl)-1-phenyl-1,2,4-triazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 1290337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).