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

C17H16BrN3O4 — CID 135439741

IUPACN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H16BrN3O4/c1-2-25-15-6-4-3-5-13(15)20-16(23)17(24)21-19-10-11-9-12(18)7-8-14(11)22/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyBBOWCIBPWFIKLP-VXLYETTFSA-N
MW406.24 g/mol
LogP2.64
Rot. Bonds5

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

N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide (PubChem CID 135439741) has the molecular formula C17H16BrN3O4 and a molecular weight of 406.24 g/mol. Its IUPAC name is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
PubChem CID135439741
Molecular FormulaC17H16BrN3O4
Molecular Weight406.24 g/mol
Exact Mass405.03
IUPAC NameN'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C17H16BrN3O4/c1-2-25-15-6-4-3-5-13(15)20-16(23)17(24)21-19-10-11-9-12(18)7-8-14(11)22/h3-10,22H,2H2,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyBBOWCIBPWFIKLP-VXLYETTFSA-N
XLogP2.64
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2E)-2-(2-methoxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 9597156
2-[2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxo-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 135438770
2-{2-[(4-bromo-2-methylphenoxy)acetyl]hydrazino}-2-oxo-N-phenylacetamide
CID 7725473
N'-{2-[(3-bromobenzyl)oxy]benzylidene}-2-(2-toluidino)propanohydrazide
CID 9620252
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191
N-[(E)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 56642868
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(2-methoxyphenyl)amino]acetohydrazide
CID 135420009
2-(4-Ethoxyanilino)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135560009
N-(2-{2-[1-(3-bromophenyl)ethylidene]hydrazino}-2-oxoethyl)-N-(2-ethoxyphenyl)methanesulfonamide
CID 5348824
N-{2-[2-(5-bromo-2-methoxybenzylidene)hydrazino]-2-oxoethyl}-N-(2-ethoxyphenyl)methanesulfonamide
CID 6876898
2-{4-bromo-2-[(hydroxyimino)methyl]phenoxy}-N-(3-methylphenyl)acetamide
CID 6894487
N'-[2-(benzyloxy)benzylidene]-2-(4-bromoanilino)propanohydrazide
CID 9675943

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide (CID 135439741) is N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The InChIKey is BBOWCIBPWFIKLP-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16BrN3O4/c1-2-25-15-6-4-3-5-13(15)20-16(23)17(24)21-19-10-11-9-12(18)7-8-14(11)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-ethoxyphenyl)oxamide?
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide has a molecular weight of 406.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 135439741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).