N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C16H12N2O4 — CID 976324

IUPACN-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O
InChIInChI=1S/C16H12N2O4/c1-18-15(21)10-7-6-9(8-11(10)16(18)22)14(20)17-12-4-2-3-5-13(12)19/h2-8,19H,1H3,(H,17,20)
InChIKeyZSOSOMCSYQYMEY-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.87
Rot. Bonds2

About N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 976324) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID976324
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O
InChIInChI=1S/C16H12N2O4/c1-18-15(21)10-7-6-9(8-11(10)16(18)22)14(20)17-12-4-2-3-5-13(12)19/h2-8,19H,1H3,(H,17,20)
InChIKeyZSOSOMCSYQYMEY-UHFFFAOYSA-N
XLogP1.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 976324) is N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccccc3O)cc2C1=O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZSOSOMCSYQYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-18-15(21)10-7-6-9(8-11(10)16(18)22)14(20)17-12-4-2-3-5-13(12)19/h2-8,19H,1H3,(H,17,20).
What are the key properties of N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 976324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).