N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide

C13H10F2N2O — CID 54478595

IUPACN-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1ncc(F)cc1F
InChIInChI=1S/C13H10F2N2O/c1-9(18)17(11-5-3-2-4-6-11)13-12(15)7-10(14)8-16-13/h2-8H,1H3
InChIKeyXNJLJBDSTYHATQ-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.04
Rot. Bonds2

About N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide

N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide (PubChem CID 54478595) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide
PubChem CID54478595
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC NameN-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1ncc(F)cc1F
InChIInChI=1S/C13H10F2N2O/c1-9(18)17(11-5-3-2-4-6-11)13-12(15)7-10(14)8-16-13/h2-8H,1H3
InChIKeyXNJLJBDSTYHATQ-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide?
The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide (CID 54478595) is N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide.
What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide?
The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide is CC(=O)N(c1ccccc1)c1ncc(F)cc1F.
What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide?
The InChIKey is XNJLJBDSTYHATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-9(18)17(11-5-3-2-4-6-11)13-12(15)7-10(14)8-16-13/h2-8H,1H3.
What are the key properties of N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide?
N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide has a molecular weight of 248.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-2-pyridinyl)-N-phenylacetamide is sourced from PubChem (CID 54478595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).