3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide

C14H11F3N2O — CID 110468478

IUPAC3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCc1ccncc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3N2O/c15-10-2-3-11(14(17)13(10)16)19-12(20)4-1-9-5-7-18-8-6-9/h2-3,5-8H,1,4H2,(H,19,20)
InChIKeySCBDEQSZONGFIL-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.07
Rot. Bonds4

About 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide

3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 110468478) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID110468478
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide
SMILESO=C(CCc1ccncc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H11F3N2O/c15-10-2-3-11(14(17)13(10)16)19-12(20)4-1-9-5-7-18-8-6-9/h2-3,5-8H,1,4H2,(H,19,20)
InChIKeySCBDEQSZONGFIL-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
3-(4-cyanophenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 41484942
N,N-dimethyl-4-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 110300090
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 114289592
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
CID 103601724
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 109001618
2-(pyridin-4-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109259377

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide (CID 110468478) is 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide is O=C(CCc1ccncc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is SCBDEQSZONGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-10-2-3-11(14(17)13(10)16)19-12(20)4-1-9-5-7-18-8-6-9/h2-3,5-8H,1,4H2,(H,19,20).
What are the key properties of 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide?
3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 280.25 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 110468478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).