N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide

C17H16BrN3O3 — CID 135615725

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H16BrN3O3/c1-2-11-5-3-4-6-14(11)20-16(23)17(24)21-19-10-12-9-13(18)7-8-15(12)22/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyMOJWVXDRZPTTGF-VXLYETTFSA-N
MW390.24 g/mol
LogP2.81
Rot. Bonds4

About N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide (PubChem CID 135615725) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
PubChem CID135615725
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H16BrN3O3/c1-2-11-5-3-4-6-14(11)20-16(23)17(24)21-19-10-12-9-13(18)7-8-15(12)22/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyMOJWVXDRZPTTGF-VXLYETTFSA-N
XLogP2.81
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
CID 3398684
ethyl 4-[[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 136911270
N'-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 94833552
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)-2-methylpropanediamide
CID 3431926
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 19659662

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide (CID 135615725) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide is CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide?
The InChIKey is MOJWVXDRZPTTGF-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-2-11-5-3-4-6-14(11)20-16(23)17(24)21-19-10-12-9-13(18)7-8-15(12)22/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+.
What are the key properties of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide has a molecular weight of 390.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide is sourced from PubChem (CID 135615725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).