3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C18H13N3O3 — CID 10687089

IUPAC3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESN#Cc1cccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H13N3O3/c19-10-11-4-3-5-12(8-11)15(9-16(20)22)21-17(23)13-6-1-2-7-14(13)18(21)24/h1-8,15H,9H2,(H2,20,22)
InChIKeyWMITULKCXUQAJI-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.77
Rot. Bonds4

About 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 10687089) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID10687089
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESN#Cc1cccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H13N3O3/c19-10-11-4-3-5-12(8-11)15(9-16(20)22)21-17(23)13-6-1-2-7-14(13)18(21)24/h1-8,15H,9H2,(H2,20,22)
InChIKeyWMITULKCXUQAJI-UHFFFAOYSA-N
XLogP1.77
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 10687089) is 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is N#Cc1cccc(C(CC(N)=O)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is WMITULKCXUQAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c19-10-11-4-3-5-12(8-11)15(9-16(20)22)21-17(23)13-6-1-2-7-14(13)18(21)24/h1-8,15H,9H2,(H2,20,22).
What are the key properties of 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 319.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 10687089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).