N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide

C20H14F3N3O2 — CID 58858339

IUPACN'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)17-5-1-3-15(11-17)19(28)26-25-18(27)14-8-6-13(7-9-14)16-4-2-10-24-12-16/h1-12H,(H,25,27)(H,26,28)
InChIKeyQWHRKMSKSNACFH-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.84
Rot. Bonds3

About N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide

N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide (PubChem CID 58858339) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide
PubChem CID58858339
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC NameN'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)17-5-1-3-15(11-17)19(28)26-25-18(27)14-8-6-13(7-9-14)16-4-2-10-24-12-16/h1-12H,(H,25,27)(H,26,28)
InChIKeyQWHRKMSKSNACFH-UHFFFAOYSA-N
XLogP3.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide (CID 58858339) is N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
The InChIKey is QWHRKMSKSNACFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)17-5-1-3-15(11-17)19(28)26-25-18(27)14-8-6-13(7-9-14)16-4-2-10-24-12-16/h1-12H,(H,25,27)(H,26,28).
What are the key properties of N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide?
N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide has a molecular weight of 385.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyridin-3-ylbenzoyl)-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 58858339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).