N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide

C20H23BrN2O3 — CID 1047378

IUPACN'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-13-11-16(21)9-10-17(13)26-12-18(24)22-23-19(25)14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGDDITZCEZGXSPG-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.90
Rot. Bonds4

About N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide (PubChem CID 1047378) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
PubChem CID1047378
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-13-11-16(21)9-10-17(13)26-12-18(24)22-23-19(25)14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGDDITZCEZGXSPG-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
CID 54790769
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-(2,4-dibromophenoxy)acetamide
CID 3341936
3-bromo-N'-[2-(2,4-ditert-butylphenoxy)acetyl]-4-methylbenzohydrazide
CID 17356781
3-bromo-4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500815
4-tert-butyl-N-[4-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]phenyl]benzamide
CID 3380438
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 3329644
N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-4-fluorobenzamide
CID 5088862
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide (CID 1047378) is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide?
The InChIKey is GDDITZCEZGXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13-11-16(21)9-10-17(13)26-12-18(24)22-23-19(25)14-5-7-15(8-6-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide?
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide has a molecular weight of 419.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide is sourced from PubChem (CID 1047378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).