2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide

C20H21Br2ClN2O4 — CID 17051867

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C20H21Br2ClN2O4/c1-20(2,3)14-8-12(21)4-6-16(14)28-10-18(26)24-25-19(27)11-29-17-7-5-13(23)9-15(17)22/h4-9H,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGIDJPHUUKKFXEO-UHFFFAOYSA-N
MW548.66 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide

2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide (PubChem CID 17051867) has the molecular formula C20H21Br2ClN2O4 and a molecular weight of 548.66 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
PubChem CID17051867
Molecular FormulaC20H21Br2ClN2O4
Molecular Weight548.66 g/mol
Exact Mass545.96
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br
InChIInChI=1S/C20H21Br2ClN2O4/c1-20(2,3)14-8-12(21)4-6-16(14)28-10-18(26)24-25-19(27)11-29-17-7-5-13(23)9-15(17)22/h4-9H,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyGIDJPHUUKKFXEO-UHFFFAOYSA-N
XLogP4.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.66
LogP ≤ 54.77
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

2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]propanehydrazide
CID 4981508
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(2-bromo-4-chlorophenoxy)-N-(4-bromo-2-fluorophenyl)acetamide
CID 30795617
4-[2-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 17051812
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 17051826
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17051842
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 5120298

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide (CID 17051867) is 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide?
The InChIKey is GIDJPHUUKKFXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Br2ClN2O4/c1-20(2,3)14-8-12(21)4-6-16(14)28-10-18(26)24-25-19(27)11-29-17-7-5-13(23)9-15(17)22/h4-9H,10-11H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide?
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide has a molecular weight of 548.66 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 17051867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).