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

C21H14N2O4 — CID 17385733

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccccc1O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H14N2O4/c24-18-11-4-3-10-17(18)22-19(25)13-6-5-7-14(12-13)23-20(26)15-8-1-2-9-16(15)21(23)27/h1-12,24H,(H,22,25)
InChIKeyIDEZYDVMEZINTL-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.45
Rot. Bonds3

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

3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide (PubChem CID 17385733) 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-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide
PubChem CID17385733
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccccc1O)c1cccc(N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H14N2O4/c24-18-11-4-3-10-17(18)22-19(25)13-6-5-7-14(12-13)23-20(26)15-8-1-2-9-16(15)21(23)27/h1-12,24H,(H,22,25)
InChIKeyIDEZYDVMEZINTL-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Benzisoselenazol-3(2H)-one, 2-(2-hydroxyphenyl)-
CID 3067580
N-(2-hydroxyphenyl)-2-[[2-[(2-hydroxyphenyl)carbamoyl]phenyl]diselanyl]benzamide
CID 13673571
N-(4-hydroxybiphenyl-3-yl)benzamide
CID 44454650
2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134257
2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 628572
N-(4-Hydroxyphenyl)Phthalimide
CID 252281
2-tert-butyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 698873
2'-{[(2-Hydroxy-5-methylphenyl)amino]carbonyl}-2-biphenylcarboxylic acid
CID 974840
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
CID 976485
4-(2-Hydroxyanilino)naphthalene-1,2-dione
CID 1895705
5,6-Bis(3-hydroxyanilino)isoindole-1,3-dione
CID 22918445
N-(o-hydroxyphenyl)phthalimide
CID 237482

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide (CID 17385733) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide is O=C(Nc1ccccc1O)c1cccc(N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide?
The InChIKey is IDEZYDVMEZINTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-18-11-4-3-10-17(18)22-19(25)13-6-5-7-14(12-13)23-20(26)15-8-1-2-9-16(15)21(23)27/h1-12,24H,(H,22,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxyphenyl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-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-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 17385733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).