N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide

C21H24F3N5O3 — CID 87739069

IUPACN-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide
SMILESO=CN(OCc1ccccc1)C(C(=O)NNc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C21H24F3N5O3/c22-21(23,24)17-11-12-25-20(26-17)28-27-19(31)18(16-9-5-2-6-10-16)29(14-30)32-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16,18H,2,5-6,9-10,13H2,(H,27,31)(H,25,26,28)
InChIKeyLJVIXSHJHYHQOC-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.48
Rot. Bonds9

About N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide

N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide (PubChem CID 87739069) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide
PubChem CID87739069
Molecular FormulaC21H24F3N5O3
Molecular Weight451.45 g/mol
Exact Mass451.18
IUPAC NameN-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide
SMILESO=CN(OCc1ccccc1)C(C(=O)NNc1nccc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C21H24F3N5O3/c22-21(23,24)17-11-12-25-20(26-17)28-27-19(31)18(16-9-5-2-6-10-16)29(14-30)32-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16,18H,2,5-6,9-10,13H2,(H,27,31)(H,25,26,28)
InChIKeyLJVIXSHJHYHQOC-UHFFFAOYSA-N
XLogP3.48
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide (CID 87739069) is N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide is O=CN(OCc1ccccc1)C(C(=O)NNc1nccc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide?
The InChIKey is LJVIXSHJHYHQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O3/c22-21(23,24)17-11-12-25-20(26-17)28-27-19(31)18(16-9-5-2-6-10-16)29(14-30)32-13-15-7-3-1-4-8-15/h1,3-4,7-8,11-12,14,16,18H,2,5-6,9-10,13H2,(H,27,31)(H,25,26,28).
What are the key properties of N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide?
N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide has a molecular weight of 451.45 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-oxo-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]ethyl]-N-phenylmethoxyformamide is sourced from PubChem (CID 87739069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).