2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide

C11H15BrN2O3 — CID 116846729

IUPAC2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
SMILESCNNC(=O)COCc1ccc(OC)c(Br)c1
InChIInChI=1S/C11H15BrN2O3/c1-13-14-11(15)7-17-6-8-3-4-10(16-2)9(12)5-8/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyZFOFUTPHKGOENB-UHFFFAOYSA-N
MW303.16 g/mol
LogP1.22
Rot. Bonds6

About 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide

2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide (PubChem CID 116846729) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
PubChem CID116846729
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide
SMILESCNNC(=O)COCc1ccc(OC)c(Br)c1
InChIInChI=1S/C11H15BrN2O3/c1-13-14-11(15)7-17-6-8-3-4-10(16-2)9(12)5-8/h3-5,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyZFOFUTPHKGOENB-UHFFFAOYSA-N
XLogP1.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-ethyl-2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846743
2-[(3-bromo-4-methoxyphenyl)methylamino]oxyacetamide
CID 112672945
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
2-(3-bromo-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847432
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propan-2-one
CID 116553852
N-[(3-bromo-4-methoxyphenyl)methyl]propanamide
CID 110780657
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006553
2-[(2-methoxyphenyl)methoxy]-N'-methylacetohydrazide
CID 116846802
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
methyl 4-[(3-bromo-4-methoxyphenyl)methoxy]benzoate
CID 60673471

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
The IUPAC name of 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide (CID 116846729) is 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide.
What is the SMILES notation for 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
The canonical SMILES for 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide is CNNC(=O)COCc1ccc(OC)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
The InChIKey is ZFOFUTPHKGOENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-13-14-11(15)7-17-6-8-3-4-10(16-2)9(12)5-8/h3-5,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide?
2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide has a molecular weight of 303.16 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxyphenyl)methoxy]-N'-methylacetohydrazide is sourced from PubChem (CID 116846729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).