N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide

C21H14N2O3 — CID 2953655

IUPACN-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O3/c24-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)22-16-10-11-17-18(12-16)21(26)23-20(17)25/h1-12H,(H,22,24)(H,23,25,26)
InChIKeyVFYZVSCKIAJRRL-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.49
Rot. Bonds3

About N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide

N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide (PubChem CID 2953655) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
PubChem CID2953655
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H14N2O3/c24-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)22-16-10-11-17-18(12-16)21(26)23-20(17)25/h1-12H,(H,22,24)(H,23,25,26)
InChIKeyVFYZVSCKIAJRRL-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 22001655
N-(1,3-dioxoisoindol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 28834338
4-fluoro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662519
[4-[(1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] acetate
CID 4048166
4-chloro-N-(1,3,4-trioxoisoquinolin-6-yl)benzamide
CID 58662497
N-(1,3-dioxoisoindol-5-yl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788490
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
N-[4-[[4-[(1,3-dioxoisoindole-5-carbonyl)amino]phenyl]diazenyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 164728727
phenyl N-(1,3-dioxoisoindol-5-yl)carbamate
CID 60669008
N-(1,3-dioxoisoindol-5-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993145

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide (CID 2953655) is N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide is O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide?
The InChIKey is VFYZVSCKIAJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c24-19(15-8-6-14(7-9-15)13-4-2-1-3-5-13)22-16-10-11-17-18(12-16)21(26)23-20(17)25/h1-12H,(H,22,24)(H,23,25,26).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide?
N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide has a molecular weight of 342.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-4-phenylbenzamide is sourced from PubChem (CID 2953655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).