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

C22H16N2O5 — CID 1271218

IUPACN-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C22H16N2O5/c1-29-19-5-3-2-4-18(19)24-21(27)16-11-6-13(12-17(16)22(24)28)20(26)23-14-7-9-15(25)10-8-14/h2-12,25H,1H3,(H,23,26)
InChIKeyMJHZMFWWXJMRDV-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.45
Rot. Bonds4

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

N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1271218) has the molecular formula C22H16N2O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1271218
Molecular FormulaC22H16N2O5
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC NameN-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C22H16N2O5/c1-29-19-5-3-2-4-18(19)24-21(27)16-11-6-13(12-17(16)22(24)28)20(26)23-14-7-9-15(25)10-8-14/h2-12,25H,1H3,(H,23,26)
InChIKeyMJHZMFWWXJMRDV-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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
methyl 3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 4114720
[3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl] propanoate
CID 17342053
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826
3,4-dichloro-N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]benzamide
CID 22781355
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17358826
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3-fluoro-4-methoxybenzamide
CID 78878772
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1271218) is N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MJHZMFWWXJMRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5/c1-29-19-5-3-2-4-18(19)24-21(27)16-11-6-13(12-17(16)22(24)28)20(26)23-14-7-9-15(25)10-8-14/h2-12,25H,1H3,(H,23,26).
What are the key properties of N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(4-hydroxyphenyl)-2-(2-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-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1271218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).