3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide

C21H14N2O4 — CID 45375909

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H14N2O4/c24-16-8-4-6-14(12-16)22-19(25)13-5-3-7-15(11-13)23-20(26)17-9-1-2-10-18(17)21(23)27/h1-12,24H,(H,22,25)
InChIKeyYFLDXDKAJFYKMJ-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.45
Rot. Bonds3

About 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide

3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide (PubChem CID 45375909) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide
PubChem CID45375909
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide
SMILESO=C(Nc1cccc(O)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H14N2O4/c24-16-8-4-6-14(12-16)22-19(25)13-5-3-7-15(11-13)23-20(26)17-9-1-2-10-18(17)21(23)27/h1-12,24H,(H,22,25)
InChIKeyYFLDXDKAJFYKMJ-UHFFFAOYSA-N
XLogP3.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
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 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide (CID 45375909) is 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide is O=C(Nc1cccc(O)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide?
The InChIKey is YFLDXDKAJFYKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-16-8-4-6-14(12-16)22-19(25)13-5-3-7-15(11-13)23-20(26)17-9-1-2-10-18(17)21(23)27/h1-12,24H,(H,22,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide has a molecular weight of 358.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 45375909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).