N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide

C22H16N2O4 — CID 135358086

IUPACN-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O4/c25-17-9-6-15(7-10-17)20(26)23-16-8-11-18-19(12-16)22(28)24(21(18)27)13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,26)
InChIKeyOCMOJWAUVWYCCD-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.44
Rot. Bonds4

About N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide

N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide (PubChem CID 135358086) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
PubChem CID135358086
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O4/c25-17-9-6-15(7-10-17)20(26)23-16-8-11-18-19(12-16)22(28)24(21(18)27)13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,26)
InChIKeyOCMOJWAUVWYCCD-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
2-benzyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9403087
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2993985
N-(4-methylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2664713
2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543
N-(3-hydroxyphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2185532
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylsulfanylphenyl)benzamide
CID 33012346

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide?
The IUPAC name of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide (CID 135358086) is N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide is O=C(Nc1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)c1ccc(O)cc1.
What is the InChIKey of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide?
The InChIKey is OCMOJWAUVWYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-17-9-6-15(7-10-17)20(26)23-16-8-11-18-19(12-16)22(28)24(21(18)27)13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,26).
What are the key properties of N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide?
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide has a molecular weight of 372.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide is sourced from PubChem (CID 135358086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).