N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide

C9H9F3N2O2 — CID 118697720

IUPACN-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide
SMILESCNC(=O)C(=O)N1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C9H9F3N2O2/c1-13-7(15)8(16)14-4-2-6(3-5-14)9(10,11)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyDGHIOUCKDRIMQL-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.58
Rot. Bonds

About N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide

N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide (PubChem CID 118697720) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide
PubChem CID118697720
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC NameN-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide
SMILESCNC(=O)C(=O)N1C=CC(C(F)(F)F)=CC1
InChIInChI=1S/C9H9F3N2O2/c1-13-7(15)8(16)14-4-2-6(3-5-14)9(10,11)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyDGHIOUCKDRIMQL-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide (CID 118697720) is N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide is CNC(=O)C(=O)N1C=CC(C(F)(F)F)=CC1.
What is the InChIKey of N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide?
The InChIKey is DGHIOUCKDRIMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-13-7(15)8(16)14-4-2-6(3-5-14)9(10,11)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide?
N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide has a molecular weight of 234.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 118697720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).