N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide

C21H14N2O4 — CID 1117015

IUPACN-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C21H14N2O4/c24-18-9-5-4-8-17(18)22-19(25)13-10-11-15-16(12-13)21(27)23(20(15)26)14-6-2-1-3-7-14/h1-12,24H,(H,22,25)
InChIKeyLLWUQGFBCQSYRK-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.45
Rot. Bonds3

About N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide

N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide (PubChem CID 1117015) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
PubChem CID1117015
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC NameN-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C21H14N2O4/c24-18-9-5-4-8-17(18)22-19(25)13-10-11-15-16(12-13)21(27)23(20(15)26)14-6-2-1-3-7-14/h1-12,24H,(H,22,25)
InChIKeyLLWUQGFBCQSYRK-UHFFFAOYSA-N
XLogP3.45
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.45
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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Related Compounds

2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134257
2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 628572
2-tert-butyl-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 698873
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
CID 976485
3-{[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
CID 1217275
2-{[(1,3-dioxo-2-phenyl-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
CID 3950536
N-(o-hydroxyphenyl)phthalimide
CID 237482
N-{4-[2-(4-Hydroxyphenyl)ethyl]phenyl}phthalimide
CID 45481821
N-{4-[2-(3-Hydroxyphenyl)ethyl]phenyl}phthalimide
CID 45481863
2-(1,3-dioxoisoindol-2-yl)-N-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 2867309
3-(1,3-dioxoisoindolin-2-yl)-N-(2-hydroxyphenyl)benzamide
CID 17385733
3-amino-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 44454563

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide (CID 1117015) is N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide is O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
The InChIKey is LLWUQGFBCQSYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c24-18-9-5-4-8-17(18)22-19(25)13-10-11-15-16(12-13)21(27)23(20(15)26)14-6-2-1-3-7-14/h1-12,24H,(H,22,25).
What are the key properties of N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide?
N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide is sourced from PubChem (CID 1117015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).