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

C22H16N2O4 — CID 162649913

IUPAC4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H16N2O4/c25-20(23-28)16-11-10-14(12-19(16)15-6-2-1-3-7-15)13-24-21(26)17-8-4-5-9-18(17)22(24)27/h1-12,28H,13H2,(H,23,25)
InChIKeyONODKKVQHKQFFX-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.27
Rot. Bonds4

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

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (PubChem CID 162649913) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.

Molecular Properties

Compound Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
PubChem CID162649913
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H16N2O4/c25-20(23-28)16-11-10-14(12-19(16)15-6-2-1-3-7-15)13-24-21(26)17-8-4-5-9-18(17)22(24)27/h1-12,28H,13H2,(H,23,25)
InChIKeyONODKKVQHKQFFX-UHFFFAOYSA-N
XLogP3.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.27
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-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The IUPAC name of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (CID 162649913) is 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.
What is the SMILES notation for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The canonical SMILES for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is O=C(NO)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1-c1ccccc1.
What is the InChIKey of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The InChIKey is ONODKKVQHKQFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-20(23-28)16-11-10-14(12-19(16)15-6-2-1-3-7-15)13-24-21(26)17-8-4-5-9-18(17)22(24)27/h1-12,28H,13H2,(H,23,25).
What are the key properties of 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxoisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is sourced from PubChem (CID 162649913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).