N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide

C21H13F6N3O2 — CID 58858343

IUPACN'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)16-9-15(10-17(11-16)21(25,26)27)19(32)30-29-18(31)14-3-1-12(2-4-14)13-5-7-28-8-6-13/h1-11H,(H,29,31)(H,30,32)
InChIKeyUZCIRSRIOAZWQJ-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.86
Rot. Bonds3

About N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide

N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide (PubChem CID 58858343) has the molecular formula C21H13F6N3O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
PubChem CID58858343
Molecular FormulaC21H13F6N3O2
Molecular Weight453.34 g/mol
Exact Mass453.09
IUPAC NameN'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide
SMILESO=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)16-9-15(10-17(11-16)21(25,26)27)19(32)30-29-18(31)14-3-1-12(2-4-14)13-5-7-28-8-6-13/h1-11H,(H,29,31)(H,30,32)
InChIKeyUZCIRSRIOAZWQJ-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.86
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-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide (CID 58858343) is N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide is O=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The InChIKey is UZCIRSRIOAZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O2/c22-20(23,24)16-9-15(10-17(11-16)21(25,26)27)19(32)30-29-18(31)14-3-1-12(2-4-14)13-5-7-28-8-6-13/h1-11H,(H,29,31)(H,30,32).
What are the key properties of N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide?
N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide has a molecular weight of 453.34 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyridin-4-ylbenzoyl)-3,5-bis(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 58858343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).