N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H19F3N2O3 — CID 111485652

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-4-5-13(22)20(8-11)9-12(21)19-10-14(23)6-2-1-3-7-14/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,21)
InChIKeySPJRAIYRNCAFFW-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.68
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111485652) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111485652
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)11-4-5-13(22)20(8-11)9-12(21)19-10-14(23)6-2-1-3-7-14/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,21)
InChIKeySPJRAIYRNCAFFW-UHFFFAOYSA-N
XLogP1.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111485652) is N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is SPJRAIYRNCAFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)11-4-5-13(22)20(8-11)9-12(21)19-10-14(23)6-2-1-3-7-14/h4-5,8,23H,1-3,6-7,9-10H2,(H,19,21).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111485652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).