2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide

C17H15BrN2O5 — CID 9340041

IUPAC2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide
SMILESCOc1cc(C=O)ccc1OCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O5/c1-24-15-8-11(9-21)6-7-14(15)25-10-16(22)19-20-17(23)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyWCZKPHRISOXXTG-UHFFFAOYSA-N
MW407.22 g/mol
LogP2.11
Rot. Bonds6

About 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide

2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide (PubChem CID 9340041) has the molecular formula C17H15BrN2O5 and a molecular weight of 407.22 g/mol. Its IUPAC name is 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide
PubChem CID9340041
Molecular FormulaC17H15BrN2O5
Molecular Weight407.22 g/mol
Exact Mass406.02
IUPAC Name2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide
SMILESCOc1cc(C=O)ccc1OCC(=O)NNC(=O)c1ccccc1Br
InChIInChI=1S/C17H15BrN2O5/c1-24-15-8-11(9-21)6-7-14(15)25-10-16(22)19-20-17(23)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyWCZKPHRISOXXTG-UHFFFAOYSA-N
XLogP2.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987
methyl 2-[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 17245435
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753461
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
2-(2-bromo-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 3955556
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671
2-bromo-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4167953
ethyl 2-[[2-[2-(4-formyl-2-methoxyphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7753578
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide (CID 9340041) is 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide is COc1cc(C=O)ccc1OCC(=O)NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is WCZKPHRISOXXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O5/c1-24-15-8-11(9-21)6-7-14(15)25-10-16(22)19-20-17(23)12-4-2-3-5-13(12)18/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide?
2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 407.22 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[2-(4-formyl-2-methoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 9340041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).