(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide

C15H13ClN2O3 — CID 142209593

IUPAC(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide
SMILESC/C(Cl)=C\C=C(/C)C(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C15H13ClN2O3/c1-8(6-7-9(2)16)13(19)17-11-5-3-4-10-12(11)15(21)18-14(10)20/h3-7H,1-2H3,(H,17,19)(H,18,20,21)/b8-6+,9-7+
InChIKeySLIOAMALKDGAQM-CDJQDVQCSA-N
MW304.73 g/mol
LogP2.60
Rot. Bonds3

About (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide

(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide (PubChem CID 142209593) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide
PubChem CID142209593
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide
SMILESC/C(Cl)=C\C=C(/C)C(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C15H13ClN2O3/c1-8(6-7-9(2)16)13(19)17-11-5-3-4-10-12(11)15(21)18-14(10)20/h3-7H,1-2H3,(H,17,19)(H,18,20,21)/b8-6+,9-7+
InChIKeySLIOAMALKDGAQM-CDJQDVQCSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide 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 (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide (CID 142209593) is (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide is C/C(Cl)=C\C=C(/C)C(=O)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide?
The InChIKey is SLIOAMALKDGAQM-CDJQDVQCSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8(6-7-9(2)16)13(19)17-11-5-3-4-10-12(11)15(21)18-14(10)20/h3-7H,1-2H3,(H,17,19)(H,18,20,21)/b8-6+,9-7+.
What are the key properties of (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide?
(2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide has a molecular weight of 304.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-chloro-N-(1,3-dioxoisoindol-4-yl)-2-methylhexa-2,4-dienamide is sourced from PubChem (CID 142209593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).