N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide

C19H16N2O4 — CID 3580470

IUPACN-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)C1CCCO1
InChIInChI=1S/C19H16N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22)
InChIKeyWJCGATRGLKIHAN-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.60
Rot. Bonds3

About N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide

N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide (PubChem CID 3580470) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide
PubChem CID3580470
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)C1CCCO1
InChIInChI=1S/C19H16N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22)
InChIKeyWJCGATRGLKIHAN-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.60
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 N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide (CID 3580470) is N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)C1CCCO1.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide?
The InChIKey is WJCGATRGLKIHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-17(16-7-4-10-25-16)20-12-8-9-14-15(11-12)19(24)21(18(14)23)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,22).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide?
N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 3580470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).