2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide

C9H9BrCl2N2O2 — CID 107661601

IUPAC2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide
SMILESCC(Oc1cc(Cl)c(Br)cc1Cl)C(=O)NN
InChIInChI=1S/C9H9BrCl2N2O2/c1-4(9(15)14-13)16-8-3-6(11)5(10)2-7(8)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyTZGLQMJAPNWLOF-UHFFFAOYSA-N
MW327.99 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide

2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide (PubChem CID 107661601) has the molecular formula C9H9BrCl2N2O2 and a molecular weight of 327.99 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide
PubChem CID107661601
Molecular FormulaC9H9BrCl2N2O2
Molecular Weight327.99 g/mol
Exact Mass325.92
IUPAC Name2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide
SMILESCC(Oc1cc(Cl)c(Br)cc1Cl)C(=O)NN
InChIInChI=1S/C9H9BrCl2N2O2/c1-4(9(15)14-13)16-8-3-6(11)5(10)2-7(8)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyTZGLQMJAPNWLOF-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.99
LogP ≤ 52.51
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)-3-methylbutanehydrazide
CID 107661616
3-(4-bromo-2,5-dichlorophenoxy)butan-2-ol
CID 106704198
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
2-(4-bromo-2,5-dichlorophenoxy)-4-methylpentanoic acid
CID 114282482
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(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)propanehydrazide?
The IUPAC name of 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide (CID 107661601) is 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide.
What is the SMILES notation for 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide?
The canonical SMILES for 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide is CC(Oc1cc(Cl)c(Br)cc1Cl)C(=O)NN.
What is the InChIKey of 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide?
The InChIKey is TZGLQMJAPNWLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrCl2N2O2/c1-4(9(15)14-13)16-8-3-6(11)5(10)2-7(8)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide?
2-(4-bromo-2,5-dichlorophenoxy)propanehydrazide has a molecular weight of 327.99 g/mol, XLogP of 2.51, 3 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)propanehydrazide is sourced from PubChem (CID 107661601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).