N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide

C19H17Br2ClN4O4 — CID 98119919

About N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide

N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide (PubChem CID 98119919) has the molecular formula C19H17Br2ClN4O4 and a molecular weight of 560.63 g/mol. Its IUPAC name is N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide.

Molecular Properties

• Compound Name: N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
• PubChem CID: 98119919
• Molecular Formula: C19H17Br2ClN4O4
• Molecular Weight: 560.63 g/mol
• Exact Mass: 557.93
• IUPAC Name: N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
• SMILES: COCc1c(Br)c(C)nc(OCC(=O)N/N=C\Cc2cc(Br)cc(Cl)c2O)c1C#N
• InChI: InChI=1S/C19H17Br2ClN4O4/c1-10-17(21)14(8-29-2)13(7-23)19(25-10)30-9-16(27)26-24-4-3-11-5-12(20)6-15(22)18(11)28/h4-6,28H,3,8-9H2,1-2H3,(H,26,27)/b24-4-
• InChIKey: IAXLIAUZAGZLNO-QDPJQKAKSA-N
• XLogP: 4.02
• TPSA: 116.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.63
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide?

The IUPAC name of N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide (CID 98119919) is N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide.

What is the SMILES notation for N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide?

The canonical SMILES for N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide is COCc1c(Br)c(C)nc(OCC(=O)N/N=C\Cc2cc(Br)cc(Cl)c2O)c1C#N.

What is the InChIKey of N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide?

The InChIKey is IAXLIAUZAGZLNO-QDPJQKAKSA-N. The full InChI is InChI=1S/C19H17Br2ClN4O4/c1-10-17(21)14(8-29-2)13(7-23)19(25-10)30-9-16(27)26-24-4-3-11-5-12(20)6-15(22)18(11)28/h4-6,28H,3,8-9H2,1-2H3,(H,26,27)/b24-4-.

What are the key properties of N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide?

N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide has a molecular weight of 560.63 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-2-(5-bromo-3-chloro-2-hydroxyphenyl)ethylideneamino]-2-[[5-bromo-3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide is sourced from PubChem (CID 98119919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).