4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide

C22H15FN2O4 — CID 162676442

IUPAC4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H15FN2O4/c23-18-8-4-7-16-19(18)22(28)25(21(16)27)12-13-9-10-15(20(26)24-29)17(11-13)14-5-2-1-3-6-14/h1-11,29H,12H2,(H,24,26)
InChIKeyYSAJLBSZOVKZCD-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.41
Rot. Bonds4

About 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide

4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (PubChem CID 162676442) has the molecular formula C22H15FN2O4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.

Molecular Properties

Compound Name4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
PubChem CID162676442
Molecular FormulaC22H15FN2O4
Molecular Weight390.37 g/mol
Exact Mass390.10
IUPAC Name4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H15FN2O4/c23-18-8-4-7-16-19(18)22(28)25(21(16)27)12-13-9-10-15(20(26)24-29)17(11-13)14-5-2-1-3-6-14/h1-11,29H,12H2,(H,24,26)
InChIKeyYSAJLBSZOVKZCD-UHFFFAOYSA-N
XLogP3.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The IUPAC name of 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (CID 162676442) is 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.
What is the SMILES notation for 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The canonical SMILES for 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is O=C(NO)c1ccc(CN2C(=O)c3cccc(F)c3C2=O)cc1-c1ccccc1.
What is the InChIKey of 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The InChIKey is YSAJLBSZOVKZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O4/c23-18-8-4-7-16-19(18)22(28)25(21(16)27)12-13-9-10-15(20(26)24-29)17(11-13)14-5-2-1-3-6-14/h1-11,29H,12H2,(H,24,26).
What are the key properties of 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide has a molecular weight of 390.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is sourced from PubChem (CID 162676442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).