N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide

C22H16N2O4 — CID 1380689

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O4/c25-17-12-10-16(11-13-17)23(20(26)15-6-2-1-3-7-15)14-24-21(27)18-8-4-5-9-19(18)22(24)28/h1-13,25H,14H2
InChIKeyVXSKXUTVJQJQAQ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.29
Rot. Bonds4

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide (PubChem CID 1380689) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide
PubChem CID1380689
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide
SMILESO=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H16N2O4/c25-17-12-10-16(11-13-17)23(20(26)15-6-2-1-3-7-15)14-24-21(27)18-8-4-5-9-19(18)22(24)28/h1-13,25H,14H2
InChIKeyVXSKXUTVJQJQAQ-UHFFFAOYSA-N
XLogP3.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide (CID 1380689) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide is O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide?
The InChIKey is VXSKXUTVJQJQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-17-12-10-16(11-13-17)23(20(26)15-6-2-1-3-7-15)14-24-21(27)18-8-4-5-9-19(18)22(24)28/h1-13,25H,14H2.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide has a molecular weight of 372.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 1380689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).