3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide

C21H13FN2O3 — CID 1255868

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H13FN2O3/c22-14-8-10-15(11-9-14)23-19(25)13-4-3-5-16(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)
InChIKeyAYSLVYZBAPLVTK-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.88
Rot. Bonds3

About 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide

3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide (PubChem CID 1255868) has the molecular formula C21H13FN2O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
PubChem CID1255868
Molecular FormulaC21H13FN2O3
Molecular Weight360.34 g/mol
Exact Mass360.09
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H13FN2O3/c22-14-8-10-15(11-9-14)23-19(25)13-4-3-5-16(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)
InChIKeyAYSLVYZBAPLVTK-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
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 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide (CID 1255868) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
The InChIKey is AYSLVYZBAPLVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3/c22-14-8-10-15(11-9-14)23-19(25)13-4-3-5-16(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide has a molecular weight of 360.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 1255868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).