5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide

C17H17BrN2O3 — CID 17353032

IUPAC5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c1-2-23-15-9-8-13(18)11-14(15)17(22)20-19-16(21)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyXVHZPJHOUAQDHT-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.85
Rot. Bonds5

About 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide

5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 17353032) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
PubChem CID17353032
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
SMILESCCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c1-2-23-15-9-8-13(18)11-14(15)17(22)20-19-16(21)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyXVHZPJHOUAQDHT-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-ethoxy-N'-(2-phenylacetyl)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

N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17353072
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
CID 17140940
5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-2-butoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 17350208
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
5-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353410
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
5-bromo-N'-(2-phenoxyacetyl)-2-(2-phenylethoxy)benzohydrazide
CID 17046364
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353060
5-bromo-2-butoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17350268
5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide (CID 17353032) is 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide is CCOc1ccc(Br)cc1C(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is XVHZPJHOUAQDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-2-23-15-9-8-13(18)11-14(15)17(22)20-19-16(21)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide?
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 377.24 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 17353032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).