4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide

C22H18N2O4 — CID 164543793

IUPAC4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)C3=C(CCC=C3)C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H18N2O4/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/h1-4,6-8,10-12,28H,5,9,13H2,(H,23,25)
InChIKeyMTSBJIYFIVDYMR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.99
Rot. Bonds4

About 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide

4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (PubChem CID 164543793) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.

Molecular Properties

Compound Name4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
PubChem CID164543793
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)C3=C(CCC=C3)C2=O)cc1-c1ccccc1
InChIInChI=1S/C22H18N2O4/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/h1-4,6-8,10-12,28H,5,9,13H2,(H,23,25)
InChIKeyMTSBJIYFIVDYMR-UHFFFAOYSA-N
XLogP2.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.99
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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Related Compounds

N-[[4-(hydroxycarbamoyl)-3-phenylphenyl]methyl]pyridine-3-carboxamide
CID 164543754
N-hydroxy-2-phenyl-4-(4-phenylanilino)benzamide
CID 171408668
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
N-hydroxy-2,5-diphenylbenzamide
CID 58121123
3-[(2,3-dioxoindol-1-yl)methyl]-N-hydroxybenzamide
CID 155669331
2-phenylcyclohexa-1,5-diene-1-carboxylic acid;phenylmethanamine
CID 143272081
1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione
CID 141451883
4-[[6-fluoro-2,4-dioxo-3-(2-phenylethyl)quinolin-1-yl]methyl]-N-hydroxybenzamide
CID 162479710
1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione
CID 69108160
4-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 22481659
3-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]propanoic acid
CID 18790661

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The IUPAC name of 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide (CID 164543793) is 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide.
What is the SMILES notation for 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The canonical SMILES for 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is O=C(NO)c1ccc(CN2C(=O)C3=C(CCC=C3)C2=O)cc1-c1ccccc1.
What is the InChIKey of 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
The InChIKey is MTSBJIYFIVDYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/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/h1-4,6-8,10-12,28H,5,9,13H2,(H,23,25).
What are the key properties of 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide?
4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide has a molecular weight of 374.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dioxo-4,5-dihydroisoindol-2-yl)methyl]-N-hydroxy-2-phenylbenzamide is sourced from PubChem (CID 164543793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).