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

C22H16N2O4 — CID 1364800

IUPACN-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C22H16N2O4/c1-13-4-2-3-5-19(13)24-21(27)17-11-6-14(12-18(17)22(24)28)20(26)23-15-7-9-16(25)10-8-15/h2-12,25H,1H3,(H,23,26)
InChIKeyZDEZHDQFZSRANA-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.75
Rot. Bonds3

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

N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1364800) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1364800
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC NameN-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C22H16N2O4/c1-13-4-2-3-5-19(13)24-21(27)17-11-6-14(12-18(17)22(24)28)20(26)23-15-7-9-16(25)10-8-15/h2-12,25H,1H3,(H,23,26)
InChIKeyZDEZHDQFZSRANA-UHFFFAOYSA-N
XLogP3.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.75
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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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1271218
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
2-(2,3-dimethylphenyl)-N-[2-(4-methylanilino)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 108767308
2-[[3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoyl]amino]-5-hydroxybenzoic acid
CID 17370705
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17358826
4-chloro-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]benzamide
CID 19165779

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 1364800) is N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2C1=O.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZDEZHDQFZSRANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-13-4-2-3-5-19(13)24-21(27)17-11-6-14(12-18(17)22(24)28)20(26)23-15-7-9-16(25)10-8-15/h2-12,25H,1H3,(H,23,26).
What are the key properties of N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1364800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).