[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate

C28H18N2O5 — CID 1396395

IUPAC[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H18N2O5/c31-25(29-19-8-2-1-3-9-19)23-12-6-7-13-24(23)35-28(34)18-14-16-20(17-15-18)30-26(32)21-10-4-5-11-22(21)27(30)33/h1-17H,(H,29,31)
InChIKeyOYJMNCRVFPJYNF-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.96
Rot. Bonds5

About [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate

[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 1396395) has the molecular formula C28H18N2O5 and a molecular weight of 462.46 g/mol. Its IUPAC name is [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Name[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID1396395
Molecular FormulaC28H18N2O5
Molecular Weight462.46 g/mol
Exact Mass462.12
IUPAC Name[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
SMILESO=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C28H18N2O5/c31-25(29-19-8-2-1-3-9-19)23-12-6-7-13-24(23)35-28(34)18-14-16-20(17-15-18)30-26(32)21-10-4-5-11-22(21)27(30)33/h1-17H,(H,29,31)
InChIKeyOYJMNCRVFPJYNF-UHFFFAOYSA-N
XLogP4.96
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate 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

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methoxybenzamide
CID 110352322
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
(2-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1217603
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
[2-(phenylcarbamoyl)phenyl] 3-methoxybenzoate
CID 837711
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
3-bromo-N-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzamide
CID 22777543
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330
propan-2-yl 4-[4-(1,3-dioxoisoindol-2-yl)phenyl]benzoate
CID 168517843

Frequently Asked Questions

What is the IUPAC name of [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate (CID 1396395) is [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate is O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is OYJMNCRVFPJYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O5/c31-25(29-19-8-2-1-3-9-19)23-12-6-7-13-24(23)35-28(34)18-14-16-20(17-15-18)30-26(32)21-10-4-5-11-22(21)27(30)33/h1-17H,(H,29,31).
What are the key properties of [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate?
[2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 462.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylcarbamoyl)phenyl] 4-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 1396395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).