1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide

C21H17F2N3O3 — CID 122632925

IUPAC1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide
SMILESO=C(Cn1cc(C(=O)NNc2ccc(F)cc2)ccc1=O)c1ccc(CF)cc1
InChIInChI=1S/C21H17F2N3O3/c22-11-14-1-3-15(4-2-14)19(27)13-26-12-16(5-10-20(26)28)21(29)25-24-18-8-6-17(23)7-9-18/h1-10,12,24H,11,13H2,(H,25,29)
InChIKeyAPNDTRPGOHYRMP-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.10
Rot. Bonds7

About 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide

1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide (PubChem CID 122632925) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide
PubChem CID122632925
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Name1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide
SMILESO=C(Cn1cc(C(=O)NNc2ccc(F)cc2)ccc1=O)c1ccc(CF)cc1
InChIInChI=1S/C21H17F2N3O3/c22-11-14-1-3-15(4-2-14)19(27)13-26-12-16(5-10-20(26)28)21(29)25-24-18-8-6-17(23)7-9-18/h1-10,12,24H,11,13H2,(H,25,29)
InChIKeyAPNDTRPGOHYRMP-UHFFFAOYSA-N
XLogP3.10
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide (CID 122632925) is 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide is O=C(Cn1cc(C(=O)NNc2ccc(F)cc2)ccc1=O)c1ccc(CF)cc1.
What is the InChIKey of 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide?
The InChIKey is APNDTRPGOHYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c22-11-14-1-3-15(4-2-14)19(27)13-26-12-16(5-10-20(26)28)21(29)25-24-18-8-6-17(23)7-9-18/h1-10,12,24H,11,13H2,(H,25,29).
What are the key properties of 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide?
1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide has a molecular weight of 397.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(fluoromethyl)phenyl]-2-oxoethyl]-N'-(4-fluorophenyl)-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 122632925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).