2-(2-bromo-4-chlorophenoxy)butanehydrazide

C10H12BrClN2O2 — CID 54792634

IUPAC2-(2-bromo-4-chlorophenoxy)butanehydrazide
SMILESCCC(Oc1ccc(Cl)cc1Br)C(=O)NN
InChIInChI=1S/C10H12BrClN2O2/c1-2-8(10(15)14-13)16-9-4-3-6(12)5-7(9)11/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyHDLPCKBIDHQSTG-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.25
Rot. Bonds4

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

2-(2-bromo-4-chlorophenoxy)butanehydrazide (PubChem CID 54792634) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)butanehydrazide
PubChem CID54792634
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name2-(2-bromo-4-chlorophenoxy)butanehydrazide
SMILESCCC(Oc1ccc(Cl)cc1Br)C(=O)NN
InChIInChI=1S/C10H12BrClN2O2/c1-2-8(10(15)14-13)16-9-4-3-6(12)5-7(9)11/h3-5,8H,2,13H2,1H3,(H,14,15)
InChIKeyHDLPCKBIDHQSTG-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.25
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

2-(2-bromo-4-chlorophenoxy)-1-phenylbutan-1-one
CID 63566899
methyl (2R)-2-(2-bromo-4-chlorophenoxy)-4-methylpentanoate
CID 114282399
4-(2-bromo-4-chlorophenoxy)pentanehydrazide
CID 63575506
methyl 2-(2-bromo-4-chlorophenoxy)propanoate
CID 20526233
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339
methyl 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoate
CID 60727143

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)butanehydrazide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)butanehydrazide (CID 54792634) is 2-(2-bromo-4-chlorophenoxy)butanehydrazide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)butanehydrazide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)butanehydrazide is CCC(Oc1ccc(Cl)cc1Br)C(=O)NN.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)butanehydrazide?
The InChIKey is HDLPCKBIDHQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-2-8(10(15)14-13)16-9-4-3-6(12)5-7(9)11/h3-5,8H,2,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)butanehydrazide?
2-(2-bromo-4-chlorophenoxy)butanehydrazide has a molecular weight of 307.58 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)butanehydrazide is sourced from PubChem (CID 54792634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).