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

C13H17BrN2O4 — CID 17140940

IUPAC5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
SMILESCCOCC(=O)NNC(=O)c1cc(Br)ccc1OCC
InChIInChI=1S/C13H17BrN2O4/c1-3-19-8-12(17)15-16-13(18)10-7-9(14)5-6-11(10)20-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWZARJLCWKXFOBX-UHFFFAOYSA-N
MW345.19 g/mol
LogP1.65
Rot. Bonds6

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

5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide (PubChem CID 17140940) has the molecular formula C13H17BrN2O4 and a molecular weight of 345.19 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
PubChem CID17140940
Molecular FormulaC13H17BrN2O4
Molecular Weight345.19 g/mol
Exact Mass344.04
IUPAC Name5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide
SMILESCCOCC(=O)NNC(=O)c1cc(Br)ccc1OCC
InChIInChI=1S/C13H17BrN2O4/c1-3-19-8-12(17)15-16-13(18)10-7-9(14)5-6-11(10)20-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWZARJLCWKXFOBX-UHFFFAOYSA-N
XLogP1.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
CID 17140952
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
5-bromo-N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353060
5-bromo-N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-ethoxybenzohydrazide
CID 17353038
5-bromo-2-ethoxy-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 17353072
5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17051072
5-bromo-N-[[(2-ethoxyacetyl)amino]carbamothioyl]-2-methoxybenzamide
CID 17141042
N-benzyl-4-[2-(5-bromo-2-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 17353041
5-bromo-N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 17353395
5-bromo-2-butoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 17350231
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide?
The IUPAC name of 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide (CID 17140940) is 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide.
What is the SMILES notation for 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide?
The canonical SMILES for 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide is CCOCC(=O)NNC(=O)c1cc(Br)ccc1OCC.
What is the InChIKey of 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide?
The InChIKey is WZARJLCWKXFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4/c1-3-19-8-12(17)15-16-13(18)10-7-9(14)5-6-11(10)20-4-2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide?
5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide has a molecular weight of 345.19 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N'-(2-ethoxyacetyl)benzohydrazide is sourced from PubChem (CID 17140940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).