2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide

C23H16F2N2O3 — CID 8643091

IUPAC2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C23H16F2N2O3/c24-16-6-8-17(9-7-16)27-22(29)18-10-5-15(13-19(18)23(27)30)21(28)26-12-11-14-3-1-2-4-20(14)25/h1-10,13H,11-12H2,(H,26,28)
InChIKeyRGIBXOLSGNALKZ-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide

2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 8643091) has the molecular formula C23H16F2N2O3 and a molecular weight of 406.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID8643091
Molecular FormulaC23H16F2N2O3
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C23H16F2N2O3/c24-16-6-8-17(9-7-16)27-22(29)18-10-5-15(13-19(18)23(27)30)21(28)26-12-11-14-3-1-2-4-20(14)25/h1-10,13H,11-12H2,(H,26,28)
InChIKeyRGIBXOLSGNALKZ-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781
4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870691
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9365829
2-(4-fluorophenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 146122876
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299311
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 110343482
5-(4-fluorobenzoyl)-2-[4-[5-(4-fluorobenzoyl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 102076477
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
2-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9368430
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide (CID 8643091) is 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide is O=C(NCCc1ccccc1F)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is RGIBXOLSGNALKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O3/c24-16-6-8-17(9-7-16)27-22(29)18-10-5-15(13-19(18)23(27)30)21(28)26-12-11-14-3-1-2-4-20(14)25/h1-10,13H,11-12H2,(H,26,28).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide?
2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 8643091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).