2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

C14H11F3N2O — CID 105380534

IUPAC2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)c1ccccc1F
InChIInChI=1S/C14H11F3N2O/c1-8(9-4-2-3-5-11(9)15)19-14(20)10-6-7-18-13(17)12(10)16/h2-8H,1H3,(H,19,20)
InChIKeyYMAYIBWSKHTRSH-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.99
Rot. Bonds3

About 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 105380534) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID105380534
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(F)c1F)c1ccccc1F
InChIInChI=1S/C14H11F3N2O/c1-8(9-4-2-3-5-11(9)15)19-14(20)10-6-7-18-13(17)12(10)16/h2-8H,1H3,(H,19,20)
InChIKeyYMAYIBWSKHTRSH-UHFFFAOYSA-N
XLogP2.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 91636239
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
N-[1-(2-fluorophenyl)ethyl]-5-methyl-2-(methylamino)benzamide
CID 62508680
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(pyridin-4-ylmethoxy)benzamide
CID 39327415
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
N-(1,3-dihydroxypropan-2-yl)-2,3-difluoropyridine-4-carboxamide
CID 105381320
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61041832
3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide (CID 105380534) is 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(F)c1F)c1ccccc1F.
What is the InChIKey of 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is YMAYIBWSKHTRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-8(9-4-2-3-5-11(9)15)19-14(20)10-6-7-18-13(17)12(10)16/h2-8H,1H3,(H,19,20).
What are the key properties of 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide?
2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(2-fluorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105380534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).