4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione

C22H18N2O2 — CID 13486509

IUPAC4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione
SMILESCc1ccc(N(C)c2ccccc2)c2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C22H18N2O2/c1-15-13-14-18(23(2)16-9-5-3-6-10-16)20-19(15)21(25)24(22(20)26)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeyBVIILOWCRRCVIJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.56
Rot. Bonds3

About 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione

4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione (PubChem CID 13486509) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione
PubChem CID13486509
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione
SMILESCc1ccc(N(C)c2ccccc2)c2c1C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C22H18N2O2/c1-15-13-14-18(23(2)16-9-5-3-6-10-16)20-19(15)21(25)24(22(20)26)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKeyBVIILOWCRRCVIJ-UHFFFAOYSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
1,4-bis(N-methylanilino)anthracene-9,10-dione
CID 101406322
3-(N-methylanilino)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573928
2-(4-hydroxyphenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430852
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430521
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
3-(N-methylanilino)-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561560
1-(4-chlorophenyl)-3-(N-methylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573960
5-methyl-1,3-dioxo-2-phenylisoindole-4-carbonitrile
CID 139624280
3-(3,4-dimethylphenyl)-4-(N-methylanilino)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110548288
3-chloro-1-(3-chlorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 720525
N-methyl-N,14-diphenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130260572

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione (CID 13486509) is 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione is Cc1ccc(N(C)c2ccccc2)c2c1C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione?
The InChIKey is BVIILOWCRRCVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-13-14-18(23(2)16-9-5-3-6-10-16)20-19(15)21(25)24(22(20)26)17-11-7-4-8-12-17/h3-14H,1-2H3.
What are the key properties of 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione?
4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(N-methylanilino)-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 13486509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).