N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide

C16H15F3N2O2 — CID 2746309

IUPACN-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)CCn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C16H15F3N2O2/c1-11-2-5-13(6-3-11)20-14(22)8-9-21-10-12(16(17,18)19)4-7-15(21)23/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyLKTJGPCSVNMFML-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.20
Rot. Bonds4

About N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide

N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 2746309) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID2746309
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESCc1ccc(NC(=O)CCn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C16H15F3N2O2/c1-11-2-5-13(6-3-11)20-14(22)8-9-21-10-12(16(17,18)19)4-7-15(21)23/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyLKTJGPCSVNMFML-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide (CID 2746309) is N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide is Cc1ccc(NC(=O)CCn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is LKTJGPCSVNMFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-11-2-5-13(6-3-11)20-14(22)8-9-21-10-12(16(17,18)19)4-7-15(21)23/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide?
N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 324.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 2746309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).