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

C22H15FN2O3 — CID 10992372

IUPACN-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Cc1ccc(F)cc1
InChIInChI=1S/C22H15FN2O3/c23-16-11-9-14(10-12-16)13-15-5-1-2-6-17(15)20(26)24-25-21(27)18-7-3-4-8-19(18)22(25)28/h1-12H,13H2,(H,24,26)
InChIKeyHBWZXZOCDIFGIN-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.36
Rot. Bonds4

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

N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide (PubChem CID 10992372) has the molecular formula C22H15FN2O3 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide
PubChem CID10992372
Molecular FormulaC22H15FN2O3
Molecular Weight374.37 g/mol
Exact Mass374.11
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Cc1ccc(F)cc1
InChIInChI=1S/C22H15FN2O3/c23-16-11-9-14(10-12-16)13-15-5-1-2-6-17(15)20(26)24-25-21(27)18-7-3-4-8-19(18)22(25)28/h1-12H,13H2,(H,24,26)
InChIKeyHBWZXZOCDIFGIN-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.36
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 N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide (CID 10992372) is N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide is O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Cc1ccc(F)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is HBWZXZOCDIFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O3/c23-16-11-9-14(10-12-16)13-15-5-1-2-6-17(15)20(26)24-25-21(27)18-7-3-4-8-19(18)22(25)28/h1-12H,13H2,(H,24,26).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide?
N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 374.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 10992372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).