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

C15H12ClF3N2O2 — CID 2746134

IUPACN-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESO=C(CCn1cccc(C(F)(F)F)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3N2O2/c16-10-3-5-11(6-4-10)20-13(22)7-9-21-8-1-2-12(14(21)23)15(17,18)19/h1-6,8H,7,9H2,(H,20,22)
InChIKeyGBOMEJKJVHPOQO-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.55
Rot. Bonds4

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

N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 2746134) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID2746134
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC NameN-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESO=C(CCn1cccc(C(F)(F)F)c1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClF3N2O2/c16-10-3-5-11(6-4-10)20-13(22)7-9-21-8-1-2-12(14(21)23)15(17,18)19/h1-6,8H,7,9H2,(H,20,22)
InChIKeyGBOMEJKJVHPOQO-UHFFFAOYSA-N
XLogP3.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide (CID 2746134) is N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide is O=C(CCn1cccc(C(F)(F)F)c1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is GBOMEJKJVHPOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-10-3-5-11(6-4-10)20-13(22)7-9-21-8-1-2-12(14(21)23)15(17,18)19/h1-6,8H,7,9H2,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide has a molecular weight of 344.72 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 2746134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).