3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide

C28H20N2O3 — CID 51548115

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H20N2O3/c31-26(29-25-16-7-6-13-22(25)20-10-2-1-3-11-20)21-12-8-9-19(17-21)18-30-27(32)23-14-4-5-15-24(23)28(30)33/h1-17H,18H2,(H,29,31)
InChIKeyIDXBRTZTQJUESF-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.40
Rot. Bonds5

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide (PubChem CID 51548115) has the molecular formula C28H20N2O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
PubChem CID51548115
Molecular FormulaC28H20N2O3
Molecular Weight432.48 g/mol
Exact Mass432.15
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C28H20N2O3/c31-26(29-25-16-7-6-13-22(25)20-10-2-1-3-11-20)21-12-8-9-19(17-21)18-30-27(32)23-14-4-5-15-24(23)28(30)33/h1-17H,18H2,(H,29,31)
InChIKeyIDXBRTZTQJUESF-UHFFFAOYSA-N
XLogP5.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.40
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-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9164957
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
CID 60533789
N'-[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]pyridine-2-carbohydrazide
CID 9330916
3-[(1,3-dioxoisoindol-2-yl)methyl]-N'-(3-nitrobenzoyl)benzohydrazide
CID 55334448
2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 60510389

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide (CID 51548115) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide is O=C(Nc1ccccc1-c1ccccc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide?
The InChIKey is IDXBRTZTQJUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O3/c31-26(29-25-16-7-6-13-22(25)20-10-2-1-3-11-20)21-12-8-9-19(17-21)18-30-27(32)23-14-4-5-15-24(23)28(30)33/h1-17H,18H2,(H,29,31).
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide has a molecular weight of 432.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 51548115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).