(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide

C₁₇H₁₅ClN₂O₂ — CID 126067611

About (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide (PubChem CID 126067611) has the molecular formula C₁₇H₁₅ClN₂O₂ and a molecular weight of 314.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
• PubChem CID: 126067611
• Molecular Formula: C₁₇H₁₅ClN₂O₂
• Molecular Weight: 314.77 g/mol
• Exact Mass: 314.08
• IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
• SMILES: COc1cccc(/C=N\NC(=O)/C=C/c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C17H15ClN2O2/c1-22-16-4-2-3-14(11-16)12-19-20-17(21)10-7-13-5-8-15(18)9-6-13/h2-12H,1H3,(H,20,21)/b10-7+,19-12-
• InChIKey: CAUUWEMDZUVFME-HEAUIMFQSA-N
• XLogP: 3.51
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.77
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?

The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide (CID 126067611) is (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide.

What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?

The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide is COc1cccc(/C=N\NC(=O)/C=C/c2ccc(Cl)cc2)c1.

What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?

The InChIKey is CAUUWEMDZUVFME-HEAUIMFQSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-22-16-4-2-3-14(11-16)12-19-20-17(21)10-7-13-5-8-15(18)9-6-13/h2-12H,1H3,(H,20,21)/b10-7+,19-12-.

What are the key properties of (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide?

(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide has a molecular weight of 314.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide is sourced from PubChem (CID 126067611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126067611 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.