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

C22H16N2O5 — CID 1103399

IUPACN-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)cc1
InChIInChI=1S/C22H16N2O5/c1-29-15-9-7-14(8-10-15)24-21(27)16-11-6-13(12-17(16)22(24)28)20(26)23-18-4-2-3-5-19(18)25/h2-12,25H,1H3,(H,23,26)
InChIKeyMTVRTBOEDDCWMV-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.45
Rot. Bonds4

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

N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1103399) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1103399
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC NameN-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)cc1
InChIInChI=1S/C22H16N2O5/c1-29-15-9-7-14(8-10-15)24-21(27)16-11-6-13(12-17(16)22(24)28)20(26)23-18-4-2-3-5-19(18)25/h2-12,25H,1H3,(H,23,26)
InChIKeyMTVRTBOEDDCWMV-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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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1103399) is N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MTVRTBOEDDCWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-29-15-9-7-14(8-10-15)24-21(27)16-11-6-13(12-17(16)22(24)28)20(26)23-18-4-2-3-5-19(18)25/h2-12,25H,1H3,(H,23,26).
What are the key properties of N-(2-hydroxyphenyl)-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(2-hydroxyphenyl)-2-(4-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-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1103399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).