4-amino-2-(4-methylphenyl)isoindole-1,3-dione

C15H12N2O2 — CID 834731

IUPAC4-amino-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1
InChIInChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3
InChIKeyLTZXDGYVXKFIET-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.38
Rot. Bonds1

About 4-amino-2-(4-methylphenyl)isoindole-1,3-dione

4-amino-2-(4-methylphenyl)isoindole-1,3-dione (PubChem CID 834731) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-2-(4-methylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(4-methylphenyl)isoindole-1,3-dione
PubChem CID834731
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-amino-2-(4-methylphenyl)isoindole-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1
InChIInChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3
InChIKeyLTZXDGYVXKFIET-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
4,5-Dianilinophthalimide
CID 1697
1-Phenylisatin
CID 12884
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
4-Aminophthalimide
CID 72915
N-1-Naphthylphthalimide
CID 79252
5-Phenylisatin
CID 14810157
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
1H-Isoindole-1,3(2H)-dione, 4-amino-
CID 72914
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
2,6-Dimethylphenylphthalimide
CID 73324
5,6-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 52550

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-amino-2-(4-methylphenyl)isoindole-1,3-dione (CID 834731) is 4-amino-2-(4-methylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-(4-methylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-(4-methylphenyl)isoindole-1,3-dione is Cc1ccc(N2C(=O)c3cccc(N)c3C2=O)cc1.
What is the InChIKey of 4-amino-2-(4-methylphenyl)isoindole-1,3-dione?
The InChIKey is LTZXDGYVXKFIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)17-14(18)11-3-2-4-12(16)13(11)15(17)19/h2-8H,16H2,1H3.
What are the key properties of 4-amino-2-(4-methylphenyl)isoindole-1,3-dione?
4-amino-2-(4-methylphenyl)isoindole-1,3-dione has a molecular weight of 252.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 834731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).