5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide

C20H23BrN2O5 — CID 17350254

IUPAC5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1OC
InChIInChI=1S/C20H23BrN2O5/c1-3-4-11-27-16-10-9-14(21)12-15(16)20(25)23-22-19(24)13-28-18-8-6-5-7-17(18)26-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVYNTXOWMDMNWTO-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.48
Rot. Bonds9

About 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide

5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide (PubChem CID 17350254) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
PubChem CID17350254
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
SMILESCCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1OC
InChIInChI=1S/C20H23BrN2O5/c1-3-4-11-27-16-10-9-14(21)12-15(16)20(25)23-22-19(24)13-28-18-8-6-5-7-17(18)26-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVYNTXOWMDMNWTO-UHFFFAOYSA-N
XLogP3.48
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-2-(2-methoxyethoxy)-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 17357334
5-bromo-2-methoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17094335
5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17350268
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
5-bromo-2-butoxy-N'-(4-phenylbenzoyl)benzohydrazide
CID 17350206
5-bromo-N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17357343
5-bromo-N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-2-hexoxybenzohydrazide
CID 17343536
2-(4-bromo-2-chlorophenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4633037
5-bromo-2-hexoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 17343483

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide (CID 17350254) is 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide is CCCCOc1ccc(Br)cc1C(=O)NNC(=O)COc1ccccc1OC.
What is the InChIKey of 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is VYNTXOWMDMNWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-3-4-11-27-16-10-9-14(21)12-15(16)20(25)23-22-19(24)13-28-18-8-6-5-7-17(18)26-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide?
5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 451.32 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butoxy-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 17350254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).