2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide

C15H15BrN2O2 — CID 47111765

IUPAC2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide
SMILESCN(NC(=O)COc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-18(13-5-3-2-4-6-13)17-15(19)11-20-14-9-7-12(16)8-10-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyVIAQURVOGZUFIE-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide

2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide (PubChem CID 47111765) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide
PubChem CID47111765
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide
SMILESCN(NC(=O)COc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-18(13-5-3-2-4-6-13)17-15(19)11-20-14-9-7-12(16)8-10-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyVIAQURVOGZUFIE-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
N'-(4-bromophenyl)-N'-methyl-2-phenylacetohydrazide
CID 768675
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
N-[3-[benzyl(methyl)amino]propyl]-2-(4-bromophenoxy)acetamide
CID 41306516
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
[2-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-2-oxoethyl] benzoate
CID 7868379
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
4-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 3488463
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide?
The IUPAC name of 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide (CID 47111765) is 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide.
What is the SMILES notation for 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide?
The canonical SMILES for 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide is CN(NC(=O)COc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide?
The InChIKey is VIAQURVOGZUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18(13-5-3-2-4-6-13)17-15(19)11-20-14-9-7-12(16)8-10-14/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide?
2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide has a molecular weight of 335.20 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N'-methyl-N'-phenylacetohydrazide is sourced from PubChem (CID 47111765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).