4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide

C10H11BrClFN2O2 — CID 114042852

IUPAC4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C10H11BrClFN2O2/c11-6-4-7(12)8(13)5-9(6)17-3-1-2-10(16)15-14/h4-5H,1-3,14H2,(H,15,16)
InChIKeyAWGZYZQEPOEIMO-UHFFFAOYSA-N
MW325.57 g/mol
LogP2.39
Rot. Bonds5

About 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide

4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide (PubChem CID 114042852) has the molecular formula C10H11BrClFN2O2 and a molecular weight of 325.57 g/mol. Its IUPAC name is 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide
PubChem CID114042852
Molecular FormulaC10H11BrClFN2O2
Molecular Weight325.57 g/mol
Exact Mass323.97
IUPAC Name4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1cc(F)c(Cl)cc1Br
InChIInChI=1S/C10H11BrClFN2O2/c11-6-4-7(12)8(13)5-9(6)17-3-1-2-10(16)15-14/h4-5H,1-3,14H2,(H,15,16)
InChIKeyAWGZYZQEPOEIMO-UHFFFAOYSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 52.39
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': 'halogenated_ring_1', '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 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide?
The IUPAC name of 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide (CID 114042852) is 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide.
What is the SMILES notation for 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide?
The canonical SMILES for 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide is NNC(=O)CCCOc1cc(F)c(Cl)cc1Br.
What is the InChIKey of 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide?
The InChIKey is AWGZYZQEPOEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFN2O2/c11-6-4-7(12)8(13)5-9(6)17-3-1-2-10(16)15-14/h4-5H,1-3,14H2,(H,15,16).
What are the key properties of 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide?
4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide has a molecular weight of 325.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chloro-5-fluorophenoxy)butanehydrazide is sourced from PubChem (CID 114042852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).