N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide

C21H14N2O3 — CID 2834281

IUPACN-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O3/c24-19(16-12-10-15(11-13-16)14-6-2-1-3-7-14)22-23-20(25)17-8-4-5-9-18(17)21(23)26/h1-13H,(H,22,24)
InChIKeyJFEMEBNXFSDOQV-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.29
Rot. Bonds3

About N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide

N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide (PubChem CID 2834281) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
PubChem CID2834281
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O3/c24-19(16-12-10-15(11-13-16)14-6-2-1-3-7-14)22-23-20(25)17-8-4-5-9-18(17)21(23)26/h1-13H,(H,22,24)
InChIKeyJFEMEBNXFSDOQV-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-3,4-dimethoxybenzamide
CID 4923492
N-[4-[(1,3-dioxoisoindol-2-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 1010974
N-(1,3-dioxoisoindol-2-yl)-3,4,5-trimethoxybenzamide
CID 1008664
N-(5-bromo-1,3-dioxoisoindol-2-yl)-4-chlorobenzamide
CID 4548391
4-[(1,3-dioxoisoindol-2-yl)amino]-4-oxobut-2-enoic acid
CID 717738
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
2-(2,4-dimethylphenyl)-N-(1,3-dioxoisoindol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 5241135
N-(1,3-dioxoisoindol-2-yl)-1,3-dioxo-2-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 554603
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55542313
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 3820988

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide (CID 2834281) is N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide is O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide?
The InChIKey is JFEMEBNXFSDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c24-19(16-12-10-15(11-13-16)14-6-2-1-3-7-14)22-23-20(25)17-8-4-5-9-18(17)21(23)26/h1-13H,(H,22,24).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide?
N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide has a molecular weight of 342.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 2834281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).