2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide

C19H19Cl3N2O2 — CID 8769959

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 8769959) has the molecular formula C19H19Cl3N2O2 and a molecular weight of 413.73 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
• PubChem CID: 8769959
• Molecular Formula: C19H19Cl3N2O2
• Molecular Weight: 413.73 g/mol
• Exact Mass: 412.05
• IUPAC Name: 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
• SMILES: COc1ccc(CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C2CC2)cc1
• InChI: InChI=1S/C19H19Cl3N2O2/c1-26-14-6-2-12(3-7-14)10-24(13-4-5-13)11-19(25)23-18-9-16(21)15(20)8-17(18)22/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,23,25)
• InChIKey: FSEMNHSUSBFFGI-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.73
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide?

The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide (CID 8769959) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide.

What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide?

The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide is COc1ccc(CN(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C2CC2)cc1.

What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide?

The InChIKey is FSEMNHSUSBFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl3N2O2/c1-26-14-6-2-12(3-7-14)10-24(13-4-5-13)11-19(25)23-18-9-16(21)15(20)8-17(18)22/h2-3,6-9,13H,4-5,10-11H2,1H3,(H,23,25).

What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide?

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 413.73 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 8769959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).