3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide

C15H15BrN2O3 — CID 83137082

IUPAC3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
SMILESCOc1cccc(Br)c1OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-13-7-3-6-12(16)14(13)21-9-10-4-2-5-11(8-10)15(19)18-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyFHLQGAXIBLJZJA-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.64
Rot. Bonds5

About 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide

3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide (PubChem CID 83137082) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
PubChem CID83137082
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide
SMILESCOc1cccc(Br)c1OCc1cccc(C(=O)NN)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-13-7-3-6-12(16)14(13)21-9-10-4-2-5-11(8-10)15(19)18-17/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyFHLQGAXIBLJZJA-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-bromo-6-methoxyphenoxy)methyl]pyridine-3-carbohydrazide
CID 83137072
3-[(4-bromo-2,6-dimethoxyphenoxy)methyl]benzoic acid
CID 22681001
3-[(2,3,6-trimethylphenoxy)methyl]benzohydrazide
CID 63576608
5-[(2-bromo-6-methoxyphenoxy)methyl]-2-methoxyaniline
CID 83141041
3-[(2-bromo-6-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 83135085
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide (CID 83137082) is 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide is COc1cccc(Br)c1OCc1cccc(C(=O)NN)c1.
What is the InChIKey of 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide?
The InChIKey is FHLQGAXIBLJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-13-7-3-6-12(16)14(13)21-9-10-4-2-5-11(8-10)15(19)18-17/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide?
3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide has a molecular weight of 351.20 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-6-methoxyphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 83137082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).