4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide

C31H21N3O5 — CID 153454442

IUPAC4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
InChIInChI=1S/C31H21N3O5/c1-17-3-5-18(6-4-17)27(35)32-21-9-11-22(12-10-21)34-30(38)24-14-8-20(16-26(24)31(34)39)19-7-13-23-25(15-19)29(37)33(2)28(23)36/h3-16H,1-2H3,(H,32,35)
InChIKeyRZYWKNSGGWIBNC-UHFFFAOYSA-N
MW515.53 g/mol
LogP4.94
Rot. Bonds4

About 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide

4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide (PubChem CID 153454442) has the molecular formula C31H21N3O5 and a molecular weight of 515.53 g/mol. Its IUPAC name is 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
PubChem CID153454442
Molecular FormulaC31H21N3O5
Molecular Weight515.53 g/mol
Exact Mass515.15
IUPAC Name4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1
InChIInChI=1S/C31H21N3O5/c1-17-3-5-18(6-4-17)27(35)32-21-9-11-22(12-10-21)34-30(38)24-14-8-20(16-26(24)31(34)39)19-7-13-23-25(15-19)29(37)33(2)28(23)36/h3-16H,1-2H3,(H,32,35)
InChIKeyRZYWKNSGGWIBNC-UHFFFAOYSA-N
XLogP4.94
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,2-bis(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1079613
N-(4-methylphenyl)-2-[4-[4-[5-[(4-methylphenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3094264
2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 90981882
5-[1,1,1,3,3,3-hexafluoro-2-[2-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;1-N-methyl-4-N-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]benzene-1,4-dicarboxamide;2-methyl-5-[2-[3-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 159977264
2-methyl-1,3-dioxo-N-(4-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 26289690
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
N-[4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-4-methylbenzamide
CID 113082913
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
N-(3,4-dimethylphenyl)-2-[4-[4-[(3,4-dimethylphenyl)carbamoyl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 3938030
2-[3-methyl-4-[2-methyl-4-[5-[2-(4-methylphenyl)acetyl]-1,3-dioxoisoindol-2-yl]phenyl]phenyl]-N-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 163757145
N-(4-anilinophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46554436
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide (CID 153454442) is 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide?
The InChIKey is RZYWKNSGGWIBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O5/c1-17-3-5-18(6-4-17)27(35)32-21-9-11-22(12-10-21)34-30(38)24-14-8-20(16-26(24)31(34)39)19-7-13-23-25(15-19)29(37)33(2)28(23)36/h3-16H,1-2H3,(H,32,35).
What are the key properties of 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide?
4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide has a molecular weight of 515.53 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide is sourced from PubChem (CID 153454442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).