N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide

C21H23F5N4O — CID 70834580

IUPACN'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESCN1CCN(C(C(=O)NNc2cc(CF)cc(C(F)(F)F)c2)c2ccccc2F)CC1
InChIInChI=1S/C21H23F5N4O/c1-29-6-8-30(9-7-29)19(17-4-2-3-5-18(17)23)20(31)28-27-16-11-14(13-22)10-15(12-16)21(24,25)26/h2-5,10-12,19,27H,6-9,13H2,1H3,(H,28,31)
InChIKeyVEYJFXGXPWUPFM-UHFFFAOYSA-N
MW442.43 g/mol
LogP3.75
Rot. Bonds6

About N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide

N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide (PubChem CID 70834580) has the molecular formula C21H23F5N4O and a molecular weight of 442.43 g/mol. Its IUPAC name is N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide
PubChem CID70834580
Molecular FormulaC21H23F5N4O
Molecular Weight442.43 g/mol
Exact Mass442.18
IUPAC NameN'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide
SMILESCN1CCN(C(C(=O)NNc2cc(CF)cc(C(F)(F)F)c2)c2ccccc2F)CC1
InChIInChI=1S/C21H23F5N4O/c1-29-6-8-30(9-7-29)19(17-4-2-3-5-18(17)23)20(31)28-27-16-11-14(13-22)10-15(12-16)21(24,25)26/h2-5,10-12,19,27H,6-9,13H2,1H3,(H,28,31)
InChIKeyVEYJFXGXPWUPFM-UHFFFAOYSA-N
XLogP3.75
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide?
The IUPAC name of N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide (CID 70834580) is N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide.
What is the SMILES notation for N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide?
The canonical SMILES for N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide is CN1CCN(C(C(=O)NNc2cc(CF)cc(C(F)(F)F)c2)c2ccccc2F)CC1.
What is the InChIKey of N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide?
The InChIKey is VEYJFXGXPWUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F5N4O/c1-29-6-8-30(9-7-29)19(17-4-2-3-5-18(17)23)20(31)28-27-16-11-14(13-22)10-15(12-16)21(24,25)26/h2-5,10-12,19,27H,6-9,13H2,1H3,(H,28,31).
What are the key properties of N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide?
N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide has a molecular weight of 442.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 70834580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).