2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C22H16N2O4 — CID 2204126

IUPAC2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H16N2O4/c25-17-9-7-16(8-10-17)23-20(26)15-6-11-18-19(12-15)22(28)24(21(18)27)13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,26)
InChIKeyIZGCNQQYKVLKJF-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.44
Rot. Bonds4

About 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 2204126) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID2204126
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H16N2O4/c25-17-9-7-16(8-10-17)23-20(26)15-6-11-18-19(12-15)22(28)24(21(18)27)13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,26)
InChIKeyIZGCNQQYKVLKJF-UHFFFAOYSA-N
XLogP3.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 2204126) is 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IZGCNQQYKVLKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c25-17-9-7-16(8-10-17)23-20(26)15-6-11-18-19(12-15)22(28)24(21(18)27)13-14-4-2-1-3-5-14/h1-12,25H,13H2,(H,23,26).
What are the key properties of 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 2204126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).