2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide

C16H14BrN3O4 — CID 135588695

IUPAC2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide
SMILESO=C(CO/N=C/c1ccccc1O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H14BrN3O4/c17-13-7-3-2-6-12(13)16(23)20-19-15(22)10-24-18-9-11-5-1-4-8-14(11)21/h1-9,21H,10H2,(H,19,22)(H,20,23)/b18-9+
InChIKeyPQFCJJSSCCXZHB-GIJQJNRQSA-N
MW392.21 g/mol
LogP1.97
Rot. Bonds5

About 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide

2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide (PubChem CID 135588695) has the molecular formula C16H14BrN3O4 and a molecular weight of 392.21 g/mol. Its IUPAC name is 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide
PubChem CID135588695
Molecular FormulaC16H14BrN3O4
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC Name2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide
SMILESO=C(CO/N=C/c1ccccc1O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H14BrN3O4/c17-13-7-3-2-6-12(13)16(23)20-19-15(22)10-24-18-9-11-5-1-4-8-14(11)21/h1-9,21H,10H2,(H,19,22)(H,20,23)/b18-9+
InChIKeyPQFCJJSSCCXZHB-GIJQJNRQSA-N
XLogP1.97
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide 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

methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074
2-[(2-bromophenyl)methylideneamino]oxyacetic acid
CID 2336636
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870754
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848136
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354583
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluorobenzoate
CID 7478277
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670728
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(2-methylsulfonylphenyl)acetamide
CID 9354585
2-(2-bromophenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135541771
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
CID 86932919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide (CID 135588695) is 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide is O=C(CO/N=C/c1ccccc1O)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide?
The InChIKey is PQFCJJSSCCXZHB-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14BrN3O4/c17-13-7-3-2-6-12(13)16(23)20-19-15(22)10-24-18-9-11-5-1-4-8-14(11)21/h1-9,21H,10H2,(H,19,22)(H,20,23)/b18-9+.
What are the key properties of 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide?
2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide has a molecular weight of 392.21 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetyl]benzohydrazide is sourced from PubChem (CID 135588695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).