2-(4-bromophenoxy)pentanehydrazide

C11H15BrN2O2 — CID 2870521

IUPAC2-(4-bromophenoxy)pentanehydrazide
SMILESCCCC(Oc1ccc(Br)cc1)C(=O)NN
InChIInChI=1S/C11H15BrN2O2/c1-2-3-10(11(15)14-13)16-9-6-4-8(12)5-7-9/h4-7,10H,2-3,13H2,1H3,(H,14,15)
InChIKeyOCXWFKWBMAXHQR-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.99
Rot. Bonds5

About 2-(4-bromophenoxy)pentanehydrazide

2-(4-bromophenoxy)pentanehydrazide (PubChem CID 2870521) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(4-bromophenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(4-bromophenoxy)pentanehydrazide
PubChem CID2870521
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(4-bromophenoxy)pentanehydrazide
SMILESCCCC(Oc1ccc(Br)cc1)C(=O)NN
InChIInChI=1S/C11H15BrN2O2/c1-2-3-10(11(15)14-13)16-9-6-4-8(12)5-7-9/h4-7,10H,2-3,13H2,1H3,(H,14,15)
InChIKeyOCXWFKWBMAXHQR-UHFFFAOYSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)pentanehydrazide?
The IUPAC name of 2-(4-bromophenoxy)pentanehydrazide (CID 2870521) is 2-(4-bromophenoxy)pentanehydrazide.
What is the SMILES notation for 2-(4-bromophenoxy)pentanehydrazide?
The canonical SMILES for 2-(4-bromophenoxy)pentanehydrazide is CCCC(Oc1ccc(Br)cc1)C(=O)NN.
What is the InChIKey of 2-(4-bromophenoxy)pentanehydrazide?
The InChIKey is OCXWFKWBMAXHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-3-10(11(15)14-13)16-9-6-4-8(12)5-7-9/h4-7,10H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromophenoxy)pentanehydrazide?
2-(4-bromophenoxy)pentanehydrazide has a molecular weight of 287.16 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)pentanehydrazide is sourced from PubChem (CID 2870521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).