N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide

C19H17N3O4 — CID 1242023

IUPACN-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-11(2)16(23)20-13-9-7-12(8-10-13)17(24)21-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-11H,1-2H3,(H,20,23)(H,21,24)
InChIKeyZZGZKQOYUVLUQS-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.22
Rot. Bonds4

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

N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 1242023) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide
PubChem CID1242023
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-11(2)16(23)20-13-9-7-12(8-10-13)17(24)21-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-11H,1-2H3,(H,20,23)(H,21,24)
InChIKeyZZGZKQOYUVLUQS-UHFFFAOYSA-N
XLogP2.22
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dianilinophthalimide
CID 1697
4-Aminophthalimide
CID 72915
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
2-(Phenylamino)-1H-isoindole-1,3(2H)-dione
CID 101246
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
5-(Dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
CID 25270867
1H-Isoindole-1,3(2H)-dione, 2-(4-methylphenyl)-
CID 616999
4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide
CID 744549
2-(2,6-diisopropylphenyl)-5-amino-1H-isoindole-1,3-dione
CID 1235479
2-(4-Acetyl-phenyl)-isoindole-1,3-dione
CID 689981
5,6-Bis-p-tolylamino-isoindole-1,3-dione
CID 10360970

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide (CID 1242023) is N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is ZZGZKQOYUVLUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11(2)16(23)20-13-9-7-12(8-10-13)17(24)21-22-18(25)14-5-3-4-6-15(14)19(22)26/h3-11H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide?
N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 351.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 1242023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).