4-(2,4-dibromophenoxy)butanehydrazide

C10H12Br2N2O2 — CID 63576618

IUPAC4-(2,4-dibromophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2N2O2/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyIEZGNNVDLPNJBV-UHFFFAOYSA-N
MW352.03 g/mol
LogP2.36
Rot. Bonds5

About 4-(2,4-dibromophenoxy)butanehydrazide

4-(2,4-dibromophenoxy)butanehydrazide (PubChem CID 63576618) has the molecular formula C10H12Br2N2O2 and a molecular weight of 352.03 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)butanehydrazide
PubChem CID63576618
Molecular FormulaC10H12Br2N2O2
Molecular Weight352.03 g/mol
Exact Mass349.93
IUPAC Name4-(2,4-dibromophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(Br)cc1Br
InChIInChI=1S/C10H12Br2N2O2/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,13H2,(H,14,15)
InChIKeyIEZGNNVDLPNJBV-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.03
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-nitrophenoxy)butanehydrazide
CID 65430385
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226
4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide
CID 114042852
6-(2,4-dibromophenoxy)hexan-3-one
CID 106802046
3-(2-bromo-4-methoxyphenoxy)propanehydrazide
CID 104708593
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
3-(2-bromophenoxy)propanehydrazide
CID 61059905
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
5-(2,4-dibromophenoxy)pentanimidamide
CID 64718456
4-[2-(1-aminoethyl)-4-bromophenoxy]-N-methylbutanamide
CID 63890948
7-(2,4-dibromophenoxy)-N-(2-oxo-1,3-oxazolidin-3-yl)heptanamide
CID 162655746
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)butanehydrazide?
The IUPAC name of 4-(2,4-dibromophenoxy)butanehydrazide (CID 63576618) is 4-(2,4-dibromophenoxy)butanehydrazide.
What is the SMILES notation for 4-(2,4-dibromophenoxy)butanehydrazide?
The canonical SMILES for 4-(2,4-dibromophenoxy)butanehydrazide is NNC(=O)CCCOc1ccc(Br)cc1Br.
What is the InChIKey of 4-(2,4-dibromophenoxy)butanehydrazide?
The InChIKey is IEZGNNVDLPNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O2/c11-7-3-4-9(8(12)6-7)16-5-1-2-10(15)14-13/h3-4,6H,1-2,5,13H2,(H,14,15).
What are the key properties of 4-(2,4-dibromophenoxy)butanehydrazide?
4-(2,4-dibromophenoxy)butanehydrazide has a molecular weight of 352.03 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)butanehydrazide is sourced from PubChem (CID 63576618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).