4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

C20H14F3N3O2 — CID 58858285

IUPAC4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)17-7-5-16(6-8-17)19(28)26-25-18(27)15-3-1-13(2-4-15)14-9-11-24-12-10-14/h1-12H,(H,25,27)(H,26,28)
InChIKeySGKWIINJBSKPBB-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.84
Rot. Bonds3

About 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide

4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (PubChem CID 58858285) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
PubChem CID58858285
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C20H14F3N3O2/c21-20(22,23)17-7-5-16(6-8-17)19(28)26-25-18(27)15-3-1-13(2-4-15)14-9-11-24-12-10-14/h1-12H,(H,25,27)(H,26,28)
InChIKeySGKWIINJBSKPBB-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 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The IUPAC name of 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide (CID 58858285) is 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The canonical SMILES for 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
The InChIKey is SGKWIINJBSKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-20(22,23)17-7-5-16(6-8-17)19(28)26-25-18(27)15-3-1-13(2-4-15)14-9-11-24-12-10-14/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide?
4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]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 4-pyridin-4-yl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 58858285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).