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

C25H16N2O4 — CID 15176885

IUPACN-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cc2ccccc2cc1O
InChIInChI=1S/C25H16N2O4/c28-22-13-16-7-5-4-6-15(16)12-21(22)23(29)26-17-10-11-19-20(14-17)25(31)27(24(19)30)18-8-2-1-3-9-18/h1-14,28H,(H,26,29)
InChIKeyRJYFWLQHKSWVMG-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.60
Rot. Bonds3

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

N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide (PubChem CID 15176885) has the molecular formula C25H16N2O4 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide
PubChem CID15176885
Molecular FormulaC25H16N2O4
Molecular Weight408.41 g/mol
Exact Mass408.11
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cc2ccccc2cc1O
InChIInChI=1S/C25H16N2O4/c28-22-13-16-7-5-4-6-15(16)12-21(22)23(29)26-17-10-11-19-20(14-17)25(31)27(24(19)30)18-8-2-1-3-9-18/h1-14,28H,(H,26,29)
InChIKeyRJYFWLQHKSWVMG-UHFFFAOYSA-N
XLogP4.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
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)-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide (CID 15176885) is N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is RJYFWLQHKSWVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O4/c28-22-13-16-7-5-4-6-15(16)12-21(22)23(29)26-17-10-11-19-20(14-17)25(31)27(24(19)30)18-8-2-1-3-9-18/h1-14,28H,(H,26,29).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide?
N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 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)-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 15176885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).