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

C26H27BrN2O4 — CID 17350300

IUPAC2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C26H27BrN2O4/c1-26(2,3)19-13-14-23(21(27)15-19)33-17-25(31)29-28-24(30)16-32-22-12-8-7-11-20(22)18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyPLZCHRFYLWGENA-UHFFFAOYSA-N
MW511.42 g/mol
LogP5.02
Rot. Bonds7

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

2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 17350300) has the molecular formula C26H27BrN2O4 and a molecular weight of 511.42 g/mol. Its IUPAC name is 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID17350300
Molecular FormulaC26H27BrN2O4
Molecular Weight511.42 g/mol
Exact Mass510.12
IUPAC Name2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1
InChIInChI=1S/C26H27BrN2O4/c1-26(2,3)19-13-14-23(21(27)15-19)33-17-25(31)29-28-24(30)16-32-22-12-8-7-11-20(22)18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyPLZCHRFYLWGENA-UHFFFAOYSA-N
XLogP5.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.42
LogP ≤ 55.02
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]-4-phenylbenzohydrazide
CID 4922284
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 3479657
2-(2-bromo-4-tert-butylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4922415
1-N',9-N'-bis[2-(2-bromo-4-tert-butylphenoxy)acetyl]nonanedihydrazide
CID 4922528
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940151
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(2,4-dimethylphenoxy)acetohydrazide
CID 4922319
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 17350300) is 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is PLZCHRFYLWGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O4/c1-26(2,3)19-13-14-23(21(27)15-19)33-17-25(31)29-28-24(30)16-32-22-12-8-7-11-20(22)18-9-5-4-6-10-18/h4-15H,16-17H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 511.42 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-tert-butylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 17350300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).