N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide

C18H18BrN3O3 — CID 3836133

IUPACN'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C18H18BrN3O3/c1-3-12-4-7-15(8-5-12)21-17(23)18(24)22-20-11-13-10-14(19)6-9-16(13)25-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZVGGDVDXWSLDDM-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.11
Rot. Bonds5

About N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide

N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide (PubChem CID 3836133) has the molecular formula C18H18BrN3O3 and a molecular weight of 404.26 g/mol. Its IUPAC name is N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
PubChem CID3836133
Molecular FormulaC18H18BrN3O3
Molecular Weight404.26 g/mol
Exact Mass403.05
IUPAC NameN'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2OC)cc1
InChIInChI=1S/C18H18BrN3O3/c1-3-12-4-7-15(8-5-12)21-17(23)18(24)22-20-11-13-10-14(19)6-9-16(13)25-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyZVGGDVDXWSLDDM-UHFFFAOYSA-N
XLogP3.11
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.11
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

methyl 4-[[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240884
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 3863592
N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061179
5-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 8897925
N'-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94833552
N-(4-ethylphenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136911866
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51060784
[2-[[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 4-methoxybenzoate
CID 3265252
N'-[(E)-[5-bromo-2-(2-chloroanilino)phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 17202032
[4-bromo-2-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3693192
[4-bromo-2-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3846842
N'-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4092508

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide (CID 3836133) is N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)NN=Cc2cc(Br)ccc2OC)cc1.
What is the InChIKey of N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide?
The InChIKey is ZVGGDVDXWSLDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3/c1-3-12-4-7-15(8-5-12)21-17(23)18(24)22-20-11-13-10-14(19)6-9-16(13)25-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide?
N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide has a molecular weight of 404.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-methoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide is sourced from PubChem (CID 3836133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).