3-(2-bromophenoxy)propanehydrazide

C9H11BrN2O2 — CID 61059905

IUPAC3-(2-bromophenoxy)propanehydrazide
SMILESNNC(=O)CCOc1ccccc1Br
InChIInChI=1S/C9H11BrN2O2/c10-7-3-1-2-4-8(7)14-6-5-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeySWERQSPCXANRMU-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.21
Rot. Bonds4

About 3-(2-bromophenoxy)propanehydrazide

3-(2-bromophenoxy)propanehydrazide (PubChem CID 61059905) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(2-bromophenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(2-bromophenoxy)propanehydrazide
PubChem CID61059905
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-(2-bromophenoxy)propanehydrazide
SMILESNNC(=O)CCOc1ccccc1Br
InChIInChI=1S/C9H11BrN2O2/c10-7-3-1-2-4-8(7)14-6-5-9(13)12-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeySWERQSPCXANRMU-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
CID 119521510
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
4-(2,4-dibromophenoxy)butanehydrazide
CID 63576618
4-(2-methoxyphenoxy)butanehydrazide
CID 63576005
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
3-(2-bromophenoxy)propylhydrazine
CID 94688539
7-(2-bromophenoxy)heptanoic acid
CID 39423766
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)propanehydrazide?
The IUPAC name of 3-(2-bromophenoxy)propanehydrazide (CID 61059905) is 3-(2-bromophenoxy)propanehydrazide.
What is the SMILES notation for 3-(2-bromophenoxy)propanehydrazide?
The canonical SMILES for 3-(2-bromophenoxy)propanehydrazide is NNC(=O)CCOc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenoxy)propanehydrazide?
The InChIKey is SWERQSPCXANRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-3-1-2-4-8(7)14-6-5-9(13)12-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 3-(2-bromophenoxy)propanehydrazide?
3-(2-bromophenoxy)propanehydrazide has a molecular weight of 259.10 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)propanehydrazide is sourced from PubChem (CID 61059905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).