N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide

C20H22Br2N6O5 — CID 135777436

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
SMILESCC(=O)N/N=C/c1cc(Br)ccc1O.NNC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrN4O3.C9H9BrN2O2/c12-8-1-2-9(17)7(5-8)6-14-16-11(19)4-3-10(18)15-13;1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h1-2,5-6,17H,3-4,13H2,(H,15,18)(H,16,19);2-5,14H,1H3,(H,12,13)/b14-6+;11-5+
InChIKeyXYXXDMZHNOHWJI-WDFARQMJSA-N
MW586.24 g/mol
LogP2.00
Rot. Bonds7

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide (PubChem CID 135777436) has the molecular formula C20H22Br2N6O5 and a molecular weight of 586.24 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
PubChem CID135777436
Molecular FormulaC20H22Br2N6O5
Molecular Weight586.24 g/mol
Exact Mass584.00
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
SMILESCC(=O)N/N=C/c1cc(Br)ccc1O.NNC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C11H13BrN4O3.C9H9BrN2O2/c12-8-1-2-9(17)7(5-8)6-14-16-11(19)4-3-10(18)15-13;1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h1-2,5-6,17H,3-4,13H2,(H,15,18)(H,16,19);2-5,14H,1H3,(H,12,13)/b14-6+;11-5+
InChIKeyXYXXDMZHNOHWJI-WDFARQMJSA-N
XLogP2.00
TPSA178.50 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.24
LogP ≤ 52.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide 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

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 135650786
[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide
CID 135777435
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
CID 136688596
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 3423079
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-bromophenyl)propanediamide
CID 3398684

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide (CID 135777436) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide is CC(=O)N/N=C/c1cc(Br)ccc1O.NNC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide?
The InChIKey is XYXXDMZHNOHWJI-WDFARQMJSA-N. The full InChI is InChI=1S/C11H13BrN4O3.C9H9BrN2O2/c12-8-1-2-9(17)7(5-8)6-14-16-11(19)4-3-10(18)15-13;1-6(13)12-11-5-7-4-8(10)2-3-9(7)14/h1-2,5-6,17H,3-4,13H2,(H,15,18)(H,16,19);2-5,14H,1H3,(H,12,13)/b14-6+;11-5+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide has a molecular weight of 586.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]acetamide;N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-hydrazinyl-4-oxobutanamide is sourced from PubChem (CID 135777436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).