(Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide

C25H20Cl2N2O4 — CID 1274774

About (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 1274774) has the molecular formula C25H20Cl2N2O4 and a molecular weight of 483.35 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide
• PubChem CID: 1274774
• Molecular Formula: C25H20Cl2N2O4
• Molecular Weight: 483.35 g/mol
• Exact Mass: 482.08
• IUPAC Name: (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide
• SMILES: CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H20Cl2N2O4/c1-2-32-24-12-16(3-10-23(24)33-15-17-4-5-19(26)13-22(17)27)11-18(14-28)25(31)29-20-6-8-21(30)9-7-20/h3-13,30H,2,15H2,1H3,(H,29,31)/b18-11-
• InChIKey: XIXYTMQAFCHLFF-WQRHYEAKSA-N
• XLogP: 6.22
• TPSA: 91.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.35
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide?

The IUPAC name of (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide (CID 1274774) is (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide.

What is the SMILES notation for (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide?

The canonical SMILES for (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide is CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide?

The InChIKey is XIXYTMQAFCHLFF-WQRHYEAKSA-N. The full InChI is InChI=1S/C25H20Cl2N2O4/c1-2-32-24-12-16(3-10-23(24)33-15-17-4-5-19(26)13-22(17)27)11-18(14-28)25(31)29-20-6-8-21(30)9-7-20/h3-13,30H,2,15H2,1H3,(H,29,31)/b18-11-.

What are the key properties of (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide?

(Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 483.35 g/mol, XLogP of 6.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-cyano-3-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 1274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).