2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid

C16H10N2O6 — CID 883412

IUPAC2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(NC(=O)c1ccc(O)cc1)C2=O
InChIInChI=1S/C16H10N2O6/c19-10-4-1-8(2-5-10)13(20)17-18-14(21)11-6-3-9(16(23)24)7-12(11)15(18)22/h1-7,19H,(H,17,20)(H,23,24)
InChIKeyHUJRXEAZHICSBV-UHFFFAOYSA-N
MW326.26 g/mol
LogP1.03
Rot. Bonds3

About 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid

2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 883412) has the molecular formula C16H10N2O6 and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID883412
Molecular FormulaC16H10N2O6
Molecular Weight326.26 g/mol
Exact Mass326.05
IUPAC Name2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N(NC(=O)c1ccc(O)cc1)C2=O
InChIInChI=1S/C16H10N2O6/c19-10-4-1-8(2-5-10)13(20)17-18-14(21)11-6-3-9(16(23)24)7-12(11)15(18)22/h1-7,19H,(H,17,20)(H,23,24)
InChIKeyHUJRXEAZHICSBV-UHFFFAOYSA-N
XLogP1.03
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid (CID 883412) is 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N(NC(=O)c1ccc(O)cc1)C2=O.
What is the InChIKey of 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is HUJRXEAZHICSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O6/c19-10-4-1-8(2-5-10)13(20)17-18-14(21)11-6-3-9(16(23)24)7-12(11)15(18)22/h1-7,19H,(H,17,20)(H,23,24).
What are the key properties of 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid?
2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 326.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxybenzoyl)amino]-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 883412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).