N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H12ClF3N2O3 — CID 3966797

IUPACN-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C16H12ClF3N2O3/c1-9(23)10-2-4-12(5-3-10)21-14(24)8-22-7-11(16(18,19)20)6-13(17)15(22)25/h2-7H,8H2,1H3,(H,21,24)
InChIKeyHXIZWZCBOXOXKC-UHFFFAOYSA-N
MW372.73 g/mol
LogP3.36
Rot. Bonds4

About N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 3966797) has the molecular formula C16H12ClF3N2O3 and a molecular weight of 372.73 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID3966797
Molecular FormulaC16H12ClF3N2O3
Molecular Weight372.73 g/mol
Exact Mass372.05
IUPAC NameN-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C16H12ClF3N2O3/c1-9(23)10-2-4-12(5-3-10)21-14(24)8-22-7-11(16(18,19)20)6-13(17)15(22)25/h2-7H,8H2,1H3,(H,21,24)
InChIKeyHXIZWZCBOXOXKC-UHFFFAOYSA-N
XLogP3.36
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.73
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 3966797) is N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HXIZWZCBOXOXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3/c1-9(23)10-2-4-12(5-3-10)21-14(24)8-22-7-11(16(18,19)20)6-13(17)15(22)25/h2-7H,8H2,1H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 372.73 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 3966797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).