N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide

C23H17ClN2O2 — CID 2352887

IUPACN-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide
SMILESCC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O2/c1-15(27)17-6-4-7-20(13-17)26-14-18-5-2-3-8-21(18)22(26)25-23(28)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3/b25-22+
InChIKeyOXIVLZREMSVKQG-YYDJUVGSSA-N
MW388.85 g/mol
LogP5.15
Rot. Bonds3

About N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide

N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide (PubChem CID 2352887) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide
PubChem CID2352887
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC NameN-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide
SMILESCC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN2O2/c1-15(27)17-6-4-7-20(13-17)26-14-18-5-2-3-8-21(18)22(26)25-23(28)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3/b25-22+
InChIKeyOXIVLZREMSVKQG-YYDJUVGSSA-N
XLogP5.15
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide?
The IUPAC name of N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide (CID 2352887) is N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide?
The canonical SMILES for N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide is CC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide?
The InChIKey is OXIVLZREMSVKQG-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-15(27)17-6-4-7-20(13-17)26-14-18-5-2-3-8-21(18)22(26)25-23(28)16-9-11-19(24)12-10-16/h2-13H,14H2,1H3/b25-22+.
What are the key properties of N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide?
N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide has a molecular weight of 388.85 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylphenyl)-3H-isoindol-1-ylidene]-4-chlorobenzamide is sourced from PubChem (CID 2352887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).