N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide

C22H24BrN3O3 — CID 17080403

IUPACN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C22H24BrN3O3/c1-22(2,3)17-12-16(23)8-9-19(17)29-14-21(28)25-24-20(27)13-26-11-10-15-6-4-5-7-18(15)26/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyCEVQRAOJTAQLIX-UHFFFAOYSA-N
MW458.36 g/mol
LogP3.93
Rot. Bonds5

About N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide

N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide (PubChem CID 17080403) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
PubChem CID17080403
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC NameN'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C22H24BrN3O3/c1-22(2,3)17-12-16(23)8-9-19(17)29-14-21(28)25-24-20(27)13-26-11-10-15-6-4-5-7-18(15)26/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyCEVQRAOJTAQLIX-UHFFFAOYSA-N
XLogP3.93
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 53.93
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

5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
CID 17094435
5-bromo-N'-(2-indol-1-ylacetyl)-2-propoxybenzohydrazide
CID 17080388
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080283
5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-methoxybenzamide
CID 17094705
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882
5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17080503
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17051842
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 19171974
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 17051880

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide (CID 17080403) is N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
The InChIKey is CEVQRAOJTAQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-22(2,3)17-12-16(23)8-9-19(17)29-14-21(28)25-24-20(27)13-26-11-10-15-6-4-5-7-18(15)26/h4-12H,13-14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide?
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide has a molecular weight of 458.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide is sourced from PubChem (CID 17080403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).