4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide

C13H15F3N2O4 — CID 86990376

IUPAC4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O4/c1-2-22-10-5-3-9(4-6-10)12(20)18-17-11(19)7-21-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyLNJGIJJAAMGKFY-UHFFFAOYSA-N
MW320.27 g/mol
LogP1.43
Rot. Bonds6

About 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide

4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide (PubChem CID 86990376) has the molecular formula C13H15F3N2O4 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
PubChem CID86990376
Molecular FormulaC13H15F3N2O4
Molecular Weight320.27 g/mol
Exact Mass320.10
IUPAC Name4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O4/c1-2-22-10-5-3-9(4-6-10)12(20)18-17-11(19)7-21-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)(H,18,20)
InChIKeyLNJGIJJAAMGKFY-UHFFFAOYSA-N
XLogP1.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 51.43
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

4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
CID 75398752
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide?
The IUPAC name of 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide (CID 86990376) is 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)COCC(F)(F)F)cc1.
What is the InChIKey of 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide?
The InChIKey is LNJGIJJAAMGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4/c1-2-22-10-5-3-9(4-6-10)12(20)18-17-11(19)7-21-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide?
4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide has a molecular weight of 320.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide is sourced from PubChem (CID 86990376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).