2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide

C17H14Br3ClN2O4 — CID 4981508

IUPAC2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C17H14Br3ClN2O4/c1-9(27-15-5-3-11(21)7-13(15)20)17(25)23-22-16(24)8-26-14-4-2-10(18)6-12(14)19/h2-7,9H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeySVSSESHLQMWZNO-UHFFFAOYSA-N
MW585.47 g/mol
LogP4.62
Rot. Bonds6

About 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide

2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide (PubChem CID 4981508) has the molecular formula C17H14Br3ClN2O4 and a molecular weight of 585.47 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
PubChem CID4981508
Molecular FormulaC17H14Br3ClN2O4
Molecular Weight585.47 g/mol
Exact Mass581.82
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C17H14Br3ClN2O4/c1-9(27-15-5-3-11(21)7-13(15)20)17(25)23-22-16(24)8-26-14-4-2-10(18)6-12(14)19/h2-7,9H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeySVSSESHLQMWZNO-UHFFFAOYSA-N
XLogP4.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.47
LogP ≤ 54.62
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-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3354989
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 4632856
N'-[2-(4-bromophenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 3499331
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
(2R)-N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 42579286
N'-[2-(2-bromo-4-chlorophenoxy)propanoyl]butanehydrazide
CID 17340339
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methylpropanamide
CID 4926464
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
(2S)-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2,4-dichlorophenoxy)propanehydrazide
CID 2268092
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide (CID 4981508) is 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide is CC(Oc1ccc(Cl)cc1Br)C(=O)NNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide?
The InChIKey is SVSSESHLQMWZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br3ClN2O4/c1-9(27-15-5-3-11(21)7-13(15)20)17(25)23-22-16(24)8-26-14-4-2-10(18)6-12(14)19/h2-7,9H,8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide?
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide has a molecular weight of 585.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 4981508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).