2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide

C15H14Br2N2O2 — CID 115465209

IUPAC2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1COc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O2/c16-12-6-3-7-13(17)15(12)21-9-11-5-2-1-4-10(11)8-14(20)19-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyBYURSDAARSFWLO-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide

2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide (PubChem CID 115465209) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
PubChem CID115465209
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1COc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O2/c16-12-6-3-7-13(17)15(12)21-9-11-5-2-1-4-10(11)8-14(20)19-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyBYURSDAARSFWLO-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.32
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-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465245
2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
CID 115465259
2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
CID 115465158
2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351478
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
N-[[3-bromo-2-[(2-bromophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499386
1-amino-3-[3-bromo-2-(pyridin-2-ylmethoxy)phenyl]urea
CID 144837936

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide (CID 115465209) is 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccccc1COc1c(Br)cccc1Br.
What is the InChIKey of 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is BYURSDAARSFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-12-6-3-7-13(17)15(12)21-9-11-5-2-1-4-10(11)8-14(20)19-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide?
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 414.10 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).