N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide

C22H18N2O3 — CID 162643277

IUPACN-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2Cc3ccccc3C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-21(23-27)19-11-10-15(12-20(19)16-6-2-1-3-7-16)13-24-14-17-8-4-5-9-18(17)22(24)26/h1-12,27H,13-14H2,(H,23,25)
InChIKeyZLQGJCXVOFYHBM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.63
Rot. Bonds4

About N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide

N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide (PubChem CID 162643277) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide
PubChem CID162643277
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2Cc3ccccc3C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H18N2O3/c25-21(23-27)19-11-10-15(12-20(19)16-6-2-1-3-7-16)13-24-14-17-8-4-5-9-18(17)22(24)26/h1-12,27H,13-14H2,(H,23,25)
InChIKeyZLQGJCXVOFYHBM-UHFFFAOYSA-N
XLogP3.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide?
The IUPAC name of N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide (CID 162643277) is N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide is O=C(NO)c1ccc(CN2Cc3ccccc3C2=O)cc1-c1ccccc1.
What is the InChIKey of N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide?
The InChIKey is ZLQGJCXVOFYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(23-27)19-11-10-15(12-20(19)16-6-2-1-3-7-16)13-24-14-17-8-4-5-9-18(17)22(24)26/h1-12,27H,13-14H2,(H,23,25).
What are the key properties of N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide?
N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(3-oxo-1H-isoindol-2-yl)methyl]-2-phenylbenzamide is sourced from PubChem (CID 162643277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).