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

C15H12ClF3N2O2 — CID 2746136

IUPACN-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESO=C(CCn1cccc(C(F)(F)F)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O2/c16-11-5-1-2-6-12(11)20-13(22)7-9-21-8-3-4-10(14(21)23)15(17,18)19/h1-6,8H,7,9H2,(H,20,22)
InChIKeyPHWZLFYYDLQUSE-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.55
Rot. Bonds4

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

N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide (PubChem CID 2746136) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
PubChem CID2746136
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC NameN-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide
SMILESO=C(CCn1cccc(C(F)(F)F)c1=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClF3N2O2/c16-11-5-1-2-6-12(11)20-13(22)7-9-21-8-3-4-10(14(21)23)15(17,18)19/h1-6,8H,7,9H2,(H,20,22)
InChIKeyPHWZLFYYDLQUSE-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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Related Compounds

3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
S-phenyl 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanethioate
CID 2746145
1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one
CID 134573960
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
[2-(2-chloroanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2506879
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113202368

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide (CID 2746136) is N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide is O=C(CCn1cccc(C(F)(F)F)c1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
The InChIKey is PHWZLFYYDLQUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-11-5-1-2-6-12(11)20-13(22)7-9-21-8-3-4-10(14(21)23)15(17,18)19/h1-6,8H,7,9H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide?
N-(2-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-(2-chlorophenyl)-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propanamide is sourced from PubChem (CID 2746136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).