2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide

C18H19BrN2O4 — CID 124551713

IUPAC2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1cc(/C=N/OCC(=O)Nc2ccccc2)cc(Br)c1OC
InChIInChI=1S/C18H19BrN2O4/c1-3-24-16-10-13(9-15(19)18(16)23-2)11-20-25-12-17(22)21-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+
InChIKeyZFZWNFGKBARSTG-RGVLZGJSSA-N
MW407.26 g/mol
LogP3.85
Rot. Bonds8

About 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide

2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide (PubChem CID 124551713) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
PubChem CID124551713
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
SMILESCCOc1cc(/C=N/OCC(=O)Nc2ccccc2)cc(Br)c1OC
InChIInChI=1S/C18H19BrN2O4/c1-3-24-16-10-13(9-15(19)18(16)23-2)11-20-25-12-17(22)21-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+
InChIKeyZFZWNFGKBARSTG-RGVLZGJSSA-N
XLogP3.85
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
2-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 126381158
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126374789
2-[(E)-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]oxy-N-phenylacetamide
CID 126381474
2-[(E)-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]oxy-N-(4-methylphenyl)acetamide
CID 124548227
(2-anilino-2-oxoethyl) 3-bromo-5-ethoxy-4-methoxybenzoate
CID 7557961
N'-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 4017540
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126321980
2-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxy-N-(4-chlorophenyl)acetamide
CID 124551705
2-[(Z)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7706853
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide (CID 124551713) is 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide is CCOc1cc(/C=N/OCC(=O)Nc2ccccc2)cc(Br)c1OC.
What is the InChIKey of 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
The InChIKey is ZFZWNFGKBARSTG-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-24-16-10-13(9-15(19)18(16)23-2)11-20-25-12-17(22)21-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-11+.
What are the key properties of 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide?
2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide has a molecular weight of 407.26 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 124551713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).