2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide

C11H13BrCl2N2O2 — CID 107661616

IUPAC2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide
SMILESCC(C)C(Oc1cc(Cl)c(Br)cc1Cl)C(=O)NN
InChIInChI=1S/C11H13BrCl2N2O2/c1-5(2)10(11(17)16-15)18-9-4-7(13)6(12)3-8(9)14/h3-5,10H,15H2,1-2H3,(H,16,17)
InChIKeyWGHHCTWXZMBPLV-UHFFFAOYSA-N
MW356.05 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide

2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide (PubChem CID 107661616) has the molecular formula C11H13BrCl2N2O2 and a molecular weight of 356.05 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide
PubChem CID107661616
Molecular FormulaC11H13BrCl2N2O2
Molecular Weight356.05 g/mol
Exact Mass353.95
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide
SMILESCC(C)C(Oc1cc(Cl)c(Br)cc1Cl)C(=O)NN
InChIInChI=1S/C11H13BrCl2N2O2/c1-5(2)10(11(17)16-15)18-9-4-7(13)6(12)3-8(9)14/h3-5,10H,15H2,1-2H3,(H,16,17)
InChIKeyWGHHCTWXZMBPLV-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.05
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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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Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide
CID 107661601
3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol
CID 106704198
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
3-methyl-2-(2,4,5-trichlorophenoxy)butanoic acid
CID 43079287
2-(4-bromo-2-cyanophenoxy)-3-methylbutanehydrazide
CID 83145468
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpentanoic acid
CID 114282482
3-methyl-2-(3-methylphenoxy)butanehydrazide
CID 63575822
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
methyl (2R)-2-[5-(bromomethyl)-2-chlorophenoxy]-3-methylbutanoate
CID 89252048
methyl 2-[5-(bromomethyl)-2-chlorophenoxy]-3-methylbutanoate
CID 89252047
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide (CID 107661616) is 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide is CC(C)C(Oc1cc(Cl)c(Br)cc1Cl)C(=O)NN.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide?
The InChIKey is WGHHCTWXZMBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrCl2N2O2/c1-5(2)10(11(17)16-15)18-9-4-7(13)6(12)3-8(9)14/h3-5,10H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide?
2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide has a molecular weight of 356.05 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dichlorophenoxy)-3-methylbutanehydrazide is sourced from PubChem (CID 107661616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).