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

C22H16N2O3 — CID 23854974

IUPACN-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
SMILESCN1C(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1=O
InChIInChI=1S/C22H16N2O3/c1-24-21(26)17-8-5-9-18(19(17)22(24)27)23-20(25)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
InChIKeyQLKQIVGQWAUTAA-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.83
Rot. Bonds3

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

N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide (PubChem CID 23854974) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
PubChem CID23854974
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
SMILESCN1C(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1=O
InChIInChI=1S/C22H16N2O3/c1-24-21(26)17-8-5-9-18(19(17)22(24)27)23-20(25)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
InChIKeyQLKQIVGQWAUTAA-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide (CID 23854974) is N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide is CN1C(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide?
The InChIKey is QLKQIVGQWAUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-24-21(26)17-8-5-9-18(19(17)22(24)27)23-20(25)16-12-10-15(11-13-16)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide?
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide has a molecular weight of 356.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide is sourced from PubChem (CID 23854974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).