3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide

C20H23BrN2O3 — CID 17050926

IUPAC3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-13-9-10-14(11-16(13)21)19(25)23-22-18(24)12-26-17-8-6-5-7-15(17)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMSEBIBPRBMVECR-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.90
Rot. Bonds4

About 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide

3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide (PubChem CID 17050926) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
PubChem CID17050926
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-13-9-10-14(11-16(13)21)19(25)23-22-18(24)12-26-17-8-6-5-7-15(17)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMSEBIBPRBMVECR-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

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
3-bromo-4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 4509301
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 3400798
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
3-bromo-4-methyl-N-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3528224
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
CID 4931652
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 4922414
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 17050900

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide (CID 17050926) is 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccccc2C(C)(C)C)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide?
The InChIKey is MSEBIBPRBMVECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13-9-10-14(11-16(13)21)19(25)23-22-18(24)12-26-17-8-6-5-7-15(17)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide?
3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide 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 3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide is sourced from PubChem (CID 17050926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).