N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide

C23H20N2O — CID 2322463

IUPACN-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide
SMILESCc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)cc1C
InChIInChI=1S/C23H20N2O/c1-16-12-13-20(14-17(16)2)25-15-19-10-6-7-11-21(19)22(25)24-23(26)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b24-22+
InChIKeyZQWOBLMCAIZRKK-ZNTNEXAZSA-N
MW340.43 g/mol
LogP4.91
Rot. Bonds2

About N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide

N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide (PubChem CID 2322463) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide
PubChem CID2322463
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC NameN-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide
SMILESCc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)cc1C
InChIInChI=1S/C23H20N2O/c1-16-12-13-20(14-17(16)2)25-15-19-10-6-7-11-21(19)22(25)24-23(26)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b24-22+
InChIKeyZQWOBLMCAIZRKK-ZNTNEXAZSA-N
XLogP4.91
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide (CID 2322463) is N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide is Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide?
The InChIKey is ZQWOBLMCAIZRKK-ZNTNEXAZSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-12-13-20(14-17(16)2)25-15-19-10-6-7-11-21(19)22(25)24-23(26)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3/b24-22+.
What are the key properties of N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide?
N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide has a molecular weight of 340.43 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-3H-isoindol-1-ylidene]benzamide is sourced from PubChem (CID 2322463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).