2-(2-bromo-4-methylphenoxy)propanehydrazide

C10H13BrN2O2 — CID 2789718

IUPAC2-(2-bromo-4-methylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NN)c(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-6-3-4-9(8(11)5-6)15-7(2)10(14)13-12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKeyZMDXXSACFSCOEG-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.51
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)propanehydrazide

2-(2-bromo-4-methylphenoxy)propanehydrazide (PubChem CID 2789718) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)propanehydrazide
PubChem CID2789718
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-(2-bromo-4-methylphenoxy)propanehydrazide
SMILESCc1ccc(OC(C)C(=O)NN)c(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-6-3-4-9(8(11)5-6)15-7(2)10(14)13-12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKeyZMDXXSACFSCOEG-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.51
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

(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
2-[[(2R)-2-(2-bromo-4-methylphenoxy)propanoyl]amino]-2-methylpropanamide
CID 94662462
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119606088
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
2-(2-bromo-4-methylphenoxy)-N-(1-cyanocyclopentyl)propanamide
CID 87017606

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)propanehydrazide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)propanehydrazide (CID 2789718) is 2-(2-bromo-4-methylphenoxy)propanehydrazide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)propanehydrazide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)propanehydrazide is Cc1ccc(OC(C)C(=O)NN)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)propanehydrazide?
The InChIKey is ZMDXXSACFSCOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-3-4-9(8(11)5-6)15-7(2)10(14)13-12/h3-5,7H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-bromo-4-methylphenoxy)propanehydrazide?
2-(2-bromo-4-methylphenoxy)propanehydrazide has a molecular weight of 273.13 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)propanehydrazide is sourced from PubChem (CID 2789718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).