N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide

C20H14F3N3O3 — CID 27662248

IUPACN'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)14-6-4-8-16(12-14)29-15-7-3-5-13(11-15)18(27)25-26-19(28)17-9-1-2-10-24-17/h1-12H,(H,25,27)(H,26,28)
InChIKeyONXVRBLYOHGHLZ-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.97
Rot. Bonds4

About N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide

N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide (PubChem CID 27662248) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
PubChem CID27662248
Molecular FormulaC20H14F3N3O3
Molecular Weight401.34 g/mol
Exact Mass401.10
IUPAC NameN'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H14F3N3O3/c21-20(22,23)14-6-4-8-16(12-14)29-15-7-3-5-13(11-15)18(27)25-26-19(28)17-9-1-2-10-24-17/h1-12H,(H,25,27)(H,26,28)
InChIKeyONXVRBLYOHGHLZ-UHFFFAOYSA-N
XLogP3.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide 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-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635
3-[3-(trifluoromethyl)phenoxy]benzohydrazide
CID 69484751
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 27019353
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
CID 141370066
N-methyl-4-[3-[[[2-(trifluoromethyl)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11213278
N-methyl-4-[3-[[[3-(trifluoromethoxy)benzoyl]amino]carbamoyl]phenoxy]pyridine-2-carboxamide
CID 11248488
2-methoxy-N'-(3-pyridin-4-yloxybenzoyl)-5-(trifluoromethyl)benzohydrazide
CID 11212599
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide (CID 27662248) is N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide is O=C(NNC(=O)c1ccccn1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide?
The InChIKey is ONXVRBLYOHGHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c21-20(22,23)14-6-4-8-16(12-14)29-15-7-3-5-13(11-15)18(27)25-26-19(28)17-9-1-2-10-24-17/h1-12H,(H,25,27)(H,26,28).
What are the key properties of N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide?
N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide has a molecular weight of 401.34 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(trifluoromethyl)phenoxy]benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 27662248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).