N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide

C18H18BrN3O3 — CID 8931692

IUPACN-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C18H18BrN3O3/c1-2-25-16-9-8-14(10-15(16)19)12-21-22-18(24)17(23)20-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyJAEOBNNOLBGOAV-MTJSOVHGSA-N
MW404.26 g/mol
LogP2.61
Rot. Bonds6

About N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide

N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide (PubChem CID 8931692) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
PubChem CID8931692
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC NameN-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C18H18BrN3O3/c1-2-25-16-9-8-14(10-15(16)19)12-21-22-18(24)17(23)20-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H,22,24)/b21-12-
InChIKeyJAEOBNNOLBGOAV-MTJSOVHGSA-N
XLogP2.61
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 52.61
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)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931683
N-benzyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126165638
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N-benzyl-N'-[(Z)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8900710
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126253676
N-[(3-bromophenyl)methyl]-N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4148335
N-[(E)-(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657755
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8931669
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 8931693
N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
CID 8988880
N'-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8989116

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide (CID 8931692) is N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide is CCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccccc2)cc1Br.
What is the InChIKey of N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide?
The InChIKey is JAEOBNNOLBGOAV-MTJSOVHGSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-2-25-16-9-8-14(10-15(16)19)12-21-22-18(24)17(23)20-11-13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,20,23)(H,22,24)/b21-12-.
What are the key properties of N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide?
N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide has a molecular weight of 404.26 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8931692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).