2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione

C22H18N2O2 — CID 139959211

IUPAC2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccccc1CNc1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-19-12-6-7-13-20(19)22(26)24(21)15-17-9-5-4-8-16(17)14-23-18-10-2-1-3-11-18/h1-13,23H,14-15H2
InChIKeyYMUGCHRORIQWCZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.09
Rot. Bonds5

About 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione

2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione (PubChem CID 139959211) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
PubChem CID139959211
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccccc1CNc1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-19-12-6-7-13-20(19)22(26)24(21)15-17-9-5-4-8-16(17)14-23-18-10-2-1-3-11-18/h1-13,23H,14-15H2
InChIKeyYMUGCHRORIQWCZ-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
CID 45158358
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[(2-ethynylphenyl)methyl]isoindole-1,3-dione
CID 90051753
2-[(2-benzoylphenyl)methyl]isoindole-1,3-dione
CID 11336777
2-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]isoindole-1,3-dione
CID 139645852
2-[[3-[2-[3-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]hydrazinyl]phenyl]methyl]isoindole-1,3-dione
CID 167064144
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
2-[(3-chloro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 59323393
2-[[2-[(1,3-dioxoisoindol-2-yl)methyl]-4-ethenylphenyl]methyl]isoindole-1,3-dione
CID 172539643
2-[(3-amino-2-fluorophenyl)methyl]isoindole-1,3-dione
CID 107347604
2-[[2-(butylsulfanylmethyl)phenyl]methyl]isoindole-1,3-dione
CID 139958946
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione (CID 139959211) is 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccccc1CNc1ccccc1.
What is the InChIKey of 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione?
The InChIKey is YMUGCHRORIQWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-19-12-6-7-13-20(19)22(26)24(21)15-17-9-5-4-8-16(17)14-23-18-10-2-1-3-11-18/h1-13,23H,14-15H2.
What are the key properties of 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione?
2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(anilinomethyl)phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139959211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).