2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide

C16H12N2O4 — CID 135906528

IUPAC2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide
SMILESO=NC(=O)c1ccc2c(O)n(Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C16H12N2O4/c19-14(17-22)11-6-7-12-13(8-11)16(21)18(15(12)20)9-10-4-2-1-3-5-10/h1-8,20-21H,9H2
InChIKeyUPFNNIHMIXOYHA-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.01
Rot. Bonds3

About 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide

2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide (PubChem CID 135906528) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide
PubChem CID135906528
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide
SMILESO=NC(=O)c1ccc2c(O)n(Cc3ccccc3)c(O)c2c1
InChIInChI=1S/C16H12N2O4/c19-14(17-22)11-6-7-12-13(8-11)16(21)18(15(12)20)9-10-4-2-1-3-5-10/h1-8,20-21H,9H2
InChIKeyUPFNNIHMIXOYHA-UHFFFAOYSA-N
XLogP3.01
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide (CID 135906528) is 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide is O=NC(=O)c1ccc2c(O)n(Cc3ccccc3)c(O)c2c1.
What is the InChIKey of 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide?
The InChIKey is UPFNNIHMIXOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-14(17-22)11-6-7-12-13(8-11)16(21)18(15(12)20)9-10-4-2-1-3-5-10/h1-8,20-21H,9H2.
What are the key properties of 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide?
2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dihydroxy-N-oxoisoindole-5-carboxamide is sourced from PubChem (CID 135906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).