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

C22H16N2O5 — CID 1238748

IUPACN-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)c1
InChIInChI=1S/C22H16N2O5/c1-29-15-6-4-5-14(12-15)24-21(27)16-10-9-13(11-17(16)22(24)28)20(26)23-18-7-2-3-8-19(18)25/h2-12,25H,1H3,(H,23,26)
InChIKeyJNUCQLRMRGGZKU-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.45
Rot. Bonds4

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

N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1238748) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1238748
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC NameN-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)c1
InChIInChI=1S/C22H16N2O5/c1-29-15-6-4-5-14(12-15)24-21(27)16-10-9-13(11-17(16)22(24)28)20(26)23-18-7-2-3-8-19(18)25/h2-12,25H,1H3,(H,23,26)
InChIKeyJNUCQLRMRGGZKU-UHFFFAOYSA-N
XLogP3.45
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[5-[(2-hydroxyphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenyl] acetate
CID 1342600
dimethyl 2-[[2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4644405
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327
2-(4-benzoylphenyl)-N-(2,3-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3605111
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
CID 1026126
2-(4-ethoxyphenyl)-N-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 27166980
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
N-(3-iodophenyl)-2-[3-[(3-iodophenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3492403
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
N-(2-ethylphenyl)-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1329424

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1238748) is N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)c1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JNUCQLRMRGGZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-29-15-6-4-5-14(12-15)24-21(27)16-10-9-13(11-17(16)22(24)28)20(26)23-18-7-2-3-8-19(18)25/h2-12,25H,1H3,(H,23,26).
What are the key properties of N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 388.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(3-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1238748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).