N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C15H12F3N3O4 — CID 55530384

IUPACN-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12F3N3O4/c1-9-4-5-10(7-12(9)21(24)25)19-13(22)8-20-6-2-3-11(14(20)23)15(16,17)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyMYGRYTNWCKLXNI-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.72
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55530384) has the molecular formula C15H12F3N3O4 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55530384
Molecular FormulaC15H12F3N3O4
Molecular Weight355.27 g/mol
Exact Mass355.08
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12F3N3O4/c1-9-4-5-10(7-12(9)21(24)25)19-13(22)8-20-6-2-3-11(14(20)23)15(16,17)18/h2-7H,8H2,1H3,(H,19,22)
InChIKeyMYGRYTNWCKLXNI-UHFFFAOYSA-N
XLogP2.72
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2746340
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
N-(4-imidazol-1-ylphenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37183985
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 26719575
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 31936110
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 30759718
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32938737
2,5-dimethyl-N-(4-methyl-3-nitrophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808101
N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801133
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 98587200
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55530384) is N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MYGRYTNWCKLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O4/c1-9-4-5-10(7-12(9)21(24)25)19-13(22)8-20-6-2-3-11(14(20)23)15(16,17)18/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 355.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55530384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).