2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

C20H15Cl3N2O3 — CID 95180867

About 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 95180867) has the molecular formula C20H15Cl3N2O3 and a molecular weight of 437.71 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

• Compound Name: 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
• PubChem CID: 95180867
• Molecular Formula: C20H15Cl3N2O3
• Molecular Weight: 437.71 g/mol
• Exact Mass: 436.01
• IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
• SMILES: Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
• InChI: InChI=1S/C20H15Cl3N2O3/c1-12-9-13(21)5-7-17(12)27-11-19(26)25-24-10-14-6-8-18(28-14)15-3-2-4-16(22)20(15)23/h2-10H,11H2,1H3,(H,25,26)/b24-10-
• InChIKey: KIMNWGBGWGQMGJ-VROXFSQNSA-N
• XLogP: 5.74
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.71
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?

The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide (CID 95180867) is 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide.

What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?

The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1.

What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?

The InChIKey is KIMNWGBGWGQMGJ-VROXFSQNSA-N. The full InChI is InChI=1S/C20H15Cl3N2O3/c1-12-9-13(21)5-7-17(12)27-11-19(26)25-24-10-14-6-8-18(28-14)15-3-2-4-16(22)20(15)23/h2-10H,11H2,1H3,(H,25,26)/b24-10-.

What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide?

2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 437.71 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 95180867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).