N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide

C19H20BrN3O3 — CID 8931693

IUPACN'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2C)cc1Br
InChIInChI=1S/C19H20BrN3O3/c1-4-26-17-9-8-14(10-15(17)20)11-21-23-19(25)18(24)22-16-7-5-6-12(2)13(16)3/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)/b21-11-
InChIKeyOBIBXIJFOLAAGO-NHDPSOOVSA-N
MW418.29 g/mol
LogP3.55
Rot. Bonds5

About N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide

N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide (PubChem CID 8931693) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide
PubChem CID8931693
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2C)cc1Br
InChIInChI=1S/C19H20BrN3O3/c1-4-26-17-9-8-14(10-15(17)20)11-21-23-19(25)18(24)22-16-7-5-6-12(2)13(16)3/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)/b21-11-
InChIKeyOBIBXIJFOLAAGO-NHDPSOOVSA-N
XLogP3.55
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126181002
N'-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
CID 4195704
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 8990286
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956
N'-[(Z)-[4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126160632
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988908
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931692
2-ethoxy-5-[(Z)-[[2-(2-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897777
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931683
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 135554219

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide (CID 8931693) is N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide is CCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C)c2C)cc1Br.
What is the InChIKey of N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide?
The InChIKey is OBIBXIJFOLAAGO-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-4-26-17-9-8-14(10-15(17)20)11-21-23-19(25)18(24)22-16-7-5-6-12(2)13(16)3/h5-11H,4H2,1-3H3,(H,22,24)(H,23,25)/b21-11-.
What are the key properties of N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide?
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide has a molecular weight of 418.29 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide is sourced from PubChem (CID 8931693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).