2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide

C19H19Br2N3O3 — CID 46698556

IUPAC2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1
InChIInChI=1S/C19H19Br2N3O3/c1-11-8-16(20)19(17(21)9-11)23-18(26)10-27-24-12(2)14-4-6-15(7-5-14)22-13(3)25/h4-9H,10H2,1-3H3,(H,22,25)(H,23,26)/b24-12+
InChIKeyKATGPNRFZRBMDA-WYMPLXKRSA-N
MW497.19 g/mol
LogP4.86
Rot. Bonds6

About 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 46698556) has the molecular formula C19H19Br2N3O3 and a molecular weight of 497.19 g/mol. Its IUPAC name is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID46698556
Molecular FormulaC19H19Br2N3O3
Molecular Weight497.19 g/mol
Exact Mass494.98
IUPAC Name2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1
InChIInChI=1S/C19H19Br2N3O3/c1-11-8-16(20)19(17(21)9-11)23-18(26)10-27-24-12(2)14-4-6-15(7-5-14)22-13(3)25/h4-9H,10H2,1-3H3,(H,22,25)(H,23,26)/b24-12+
InChIKeyKATGPNRFZRBMDA-WYMPLXKRSA-N
XLogP4.86
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.19
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-tert-butylacetamide
CID 24609674
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-chlorophenyl)acetamide
CID 46698554
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(3-methylbutyl)acetamide
CID 24609676
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
CID 46698539
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 42970130
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 23796072
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N,N-dimethyl-4-[[2-[(E)-1-[4-[(3-methylphenyl)methoxy]phenyl]ethylideneamino]oxyacetyl]amino]benzamide
CID 95303208
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 46501283
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
4-[[2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetyl]amino]benzamide
CID 9207174
methyl 5-[2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 24609700

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 46698556) is 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide is CC(=O)Nc1ccc(/C(C)=N/OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1.
What is the InChIKey of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is KATGPNRFZRBMDA-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H19Br2N3O3/c1-11-8-16(20)19(17(21)9-11)23-18(26)10-27-24-12(2)14-4-6-15(7-5-14)22-13(3)25/h4-9H,10H2,1-3H3,(H,22,25)(H,23,26)/b24-12+.
What are the key properties of 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 497.19 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 46698556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).