3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

C20H23BrN2O3 — CID 3400798

IUPAC3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1
InChIInChI=1S/C20H23BrN2O3/c1-13-6-5-7-15(10-13)26-12-18(24)22-23-19(25)14-8-9-16(17(21)11-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQYTQVWLQODIUQC-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.90
Rot. Bonds4

About 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (PubChem CID 3400798) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
PubChem CID3400798
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1
InChIInChI=1S/C20H23BrN2O3/c1-13-6-5-7-15(10-13)26-12-18(24)22-23-19(25)14-8-9-16(17(21)11-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyQYTQVWLQODIUQC-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-4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500815
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
3-bromo-4-tert-butyl-N'-[2-(4-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4502918
3-bromo-4-tert-butyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 3401535
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
3-methyl-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 7943194
3-bromo-N'-[2-(2-tert-butylphenoxy)acetyl]-4-methylbenzohydrazide
CID 17050926
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 3117674
N'-[2-(3-methylphenoxy)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 55489256
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 24538802

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (CID 3400798) is 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is QYTQVWLQODIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-13-6-5-7-15(10-13)26-12-18(24)22-23-19(25)14-8-9-16(17(21)11-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
3-bromo-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide 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-4-tert-butyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 3400798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).