N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H15F3N2O2 — CID 2081845

IUPACN-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C16H15F3N2O2/c1-11-2-4-12(5-3-11)8-20-14(22)10-21-9-13(16(17,18)19)6-7-15(21)23/h2-7,9H,8,10H2,1H3,(H,20,22)
InChIKeyGFXISCVRDLGQPG-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.49
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2081845) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2081845
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C16H15F3N2O2/c1-11-2-4-12(5-3-11)8-20-14(22)10-21-9-13(16(17,18)19)6-7-15(21)23/h2-7,9H,8,10H2,1H3,(H,20,22)
InChIKeyGFXISCVRDLGQPG-UHFFFAOYSA-N
XLogP2.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2081845) is N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ccc(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is GFXISCVRDLGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-11-2-4-12(5-3-11)8-20-14(22)10-21-9-13(16(17,18)19)6-7-15(21)23/h2-7,9H,8,10H2,1H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2081845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).