N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide

C17H16Br2N2O4 — CID 4940104

IUPACN'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C17H16Br2N2O4/c1-11(25-13-5-3-2-4-6-13)17(23)21-20-16(22)10-24-15-8-7-12(18)9-14(15)19/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyASFCNPHZRRLBRS-UHFFFAOYSA-N
MW472.13 g/mol
LogP3.21
Rot. Bonds6

About N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide

N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide (PubChem CID 4940104) has the molecular formula C17H16Br2N2O4 and a molecular weight of 472.13 g/mol. Its IUPAC name is N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
PubChem CID4940104
Molecular FormulaC17H16Br2N2O4
Molecular Weight472.13 g/mol
Exact Mass469.95
IUPAC NameN'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C17H16Br2N2O4/c1-11(25-13-5-3-2-4-6-13)17(23)21-20-16(22)10-24-15-8-7-12(18)9-14(15)19/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyASFCNPHZRRLBRS-UHFFFAOYSA-N
XLogP3.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.13
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
2-(3-bromophenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 51161488
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
2-(3-bromophenoxy)-N'-[2-(2-phenoxyethoxy)acetyl]propanehydrazide
CID 55789410
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940220
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 4943032
2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
CID 17150806
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide?
The IUPAC name of N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide (CID 4940104) is N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide.
What is the SMILES notation for N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide?
The canonical SMILES for N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide is CC(Oc1ccccc1)C(=O)NNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide?
The InChIKey is ASFCNPHZRRLBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O4/c1-11(25-13-5-3-2-4-6-13)17(23)21-20-16(22)10-24-15-8-7-12(18)9-14(15)19/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide?
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide has a molecular weight of 472.13 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide is sourced from PubChem (CID 4940104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).