N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide

C16H14F3N3O3 — CID 75398752

IUPACN'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3/c1-2-25-11-7-5-10(6-8-11)14(23)21-22-15(24)13-12(16(17,18)19)4-3-9-20-13/h3-9H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyIONIBBSOEFRAPD-UHFFFAOYSA-N
MW353.30 g/mol
LogP2.57
Rot. Bonds4

About N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide

N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide (PubChem CID 75398752) has the molecular formula C16H14F3N3O3 and a molecular weight of 353.30 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
PubChem CID75398752
Molecular FormulaC16H14F3N3O3
Molecular Weight353.30 g/mol
Exact Mass353.10
IUPAC NameN'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ncccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O3/c1-2-25-11-7-5-10(6-8-11)14(23)21-22-15(24)13-12(16(17,18)19)4-3-9-20-13/h3-9H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyIONIBBSOEFRAPD-UHFFFAOYSA-N
XLogP2.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 52.57
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

N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
4-ethoxy-N'-pyrimidin-2-ylbenzohydrazide
CID 47140397
4-ethoxy-N'-[2-[4-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 55786703
4-ethoxy-N'-[2-(2,2,2-trifluoroethoxy)acetyl]benzohydrazide
CID 86990376
N'-(4-ethoxybenzoyl)-6-methylpyridine-3-carbohydrazide
CID 18147998
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 1242400
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
N'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
6-(dimethylamino)-N'-(4-ethoxybenzoyl)pyridine-3-carbohydrazide
CID 35701839

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide (CID 75398752) is N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ncccc2C(F)(F)F)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
The InChIKey is IONIBBSOEFRAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3/c1-2-25-11-7-5-10(6-8-11)14(23)21-22-15(24)13-12(16(17,18)19)4-3-9-20-13/h3-9H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide has a molecular weight of 353.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 75398752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).