4-(2-bromo-4-chlorophenoxy)pentanehydrazide

C11H14BrClN2O2 — CID 63575506

IUPAC4-(2-bromo-4-chlorophenoxy)pentanehydrazide
SMILESCC(CCC(=O)NN)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-7(2-5-11(16)15-14)17-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5,14H2,1H3,(H,15,16)
InChIKeyYZJBCODAXQKQFR-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.64
Rot. Bonds5

About 4-(2-bromo-4-chlorophenoxy)pentanehydrazide

4-(2-bromo-4-chlorophenoxy)pentanehydrazide (PubChem CID 63575506) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)pentanehydrazide.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)pentanehydrazide
PubChem CID63575506
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name4-(2-bromo-4-chlorophenoxy)pentanehydrazide
SMILESCC(CCC(=O)NN)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C11H14BrClN2O2/c1-7(2-5-11(16)15-14)17-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5,14H2,1H3,(H,15,16)
InChIKeyYZJBCODAXQKQFR-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.64
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

4-(4-bromo-2-chlorophenoxy)pentanehydrazide
CID 63574538
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
4-(2,4-difluorophenoxy)pentanehydrazide
CID 63575446
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
methyl (2R)-2-(2-bromo-4-chlorophenoxy)-4-methylpentanoate
CID 114282399
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339
3-(2-bromo-4-chlorophenoxy)butan-2-one
CID 60626588
2-(2-bromo-4-chlorophenoxy)propanoyl chloride
CID 88743448
2-(2-bromo-4-chlorophenoxy)-N-ethylpropan-1-amine
CID 62459615
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)pentanehydrazide?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)pentanehydrazide (CID 63575506) is 4-(2-bromo-4-chlorophenoxy)pentanehydrazide.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)pentanehydrazide?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)pentanehydrazide is CC(CCC(=O)NN)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)pentanehydrazide?
The InChIKey is YZJBCODAXQKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-7(2-5-11(16)15-14)17-10-4-3-8(13)6-9(10)12/h3-4,6-7H,2,5,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-bromo-4-chlorophenoxy)pentanehydrazide?
4-(2-bromo-4-chlorophenoxy)pentanehydrazide has a molecular weight of 321.60 g/mol, XLogP of 2.64, 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-chlorophenoxy)pentanehydrazide is sourced from PubChem (CID 63575506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).