N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide

C17H16BrN3O3 — CID 5334782

IUPACN-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-2-24-15-9-3-12(4-10-15)11-19-21-17(23)16(22)20-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyPOCMXNCUILARQQ-YBFXNURJSA-N
MW390.24 g/mol
LogP2.94
Rot. Bonds5

About N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide

N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide (PubChem CID 5334782) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
PubChem CID5334782
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
SMILESCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-2-24-15-9-3-12(4-10-15)11-19-21-17(23)16(22)20-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyPOCMXNCUILARQQ-YBFXNURJSA-N
XLogP2.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.94
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'}

Analyze N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide (CID 5334782) is N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide is CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide?
The InChIKey is POCMXNCUILARQQ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-2-24-15-9-3-12(4-10-15)11-19-21-17(23)16(22)20-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+.
What are the key properties of N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide has a molecular weight of 390.24 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5334782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).