3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide

C15H14F2N2O — CID 110474902

IUPAC3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ncccc1F)c1ccccc1F
InChIInChI=1S/C15H14F2N2O/c1-15(2,10-6-3-4-7-11(10)16)19-14(20)13-12(17)8-5-9-18-13/h3-9H,1-2H3,(H,19,20)
InChIKeyOREMPMCSMCWQGV-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.02
Rot. Bonds3

About 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide

3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide (PubChem CID 110474902) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
PubChem CID110474902
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ncccc1F)c1ccccc1F
InChIInChI=1S/C15H14F2N2O/c1-15(2,10-6-3-4-7-11(10)16)19-14(20)13-12(17)8-5-9-18-13/h3-9H,1-2H3,(H,19,20)
InChIKeyOREMPMCSMCWQGV-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide (CID 110474902) is 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide is CC(C)(NC(=O)c1ncccc1F)c1ccccc1F.
What is the InChIKey of 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is OREMPMCSMCWQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-15(2,10-6-3-4-7-11(10)16)19-14(20)13-12(17)8-5-9-18-13/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide?
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 110474902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).