N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide

C13H8F4N2O — CID 71003917

IUPACN-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C13H8F4N2O/c1-6(20)18-8-4-2-3-7(5-8)9-10(14)12(16)19-13(17)11(9)15/h2-5H,1H3,(H,18,20)
InChIKeyYYXYNLSZRQODAA-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.26
Rot. Bonds2

About N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide

N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide (PubChem CID 71003917) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
PubChem CID71003917
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC NameN-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C13H8F4N2O/c1-6(20)18-8-4-2-3-7(5-8)9-10(14)12(16)19-13(17)11(9)15/h2-5H,1H3,(H,18,20)
InChIKeyYYXYNLSZRQODAA-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
4-(3-acetamidophenyl)benzoate
CID 86306420
N-[3-[3-methyl-5-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 133371071
N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
CID 58006576
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028
N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
CID 19761467
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-(3-methylphenyl)acetamide
CID 10843
2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 175212165
N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
CID 154687564

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide (CID 71003917) is N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide is CC(=O)Nc1cccc(-c2c(F)c(F)nc(F)c2F)c1.
What is the InChIKey of N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide?
The InChIKey is YYXYNLSZRQODAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c1-6(20)18-8-4-2-3-7(5-8)9-10(14)12(16)19-13(17)11(9)15/h2-5H,1H3,(H,18,20).
What are the key properties of N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide?
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide has a molecular weight of 284.21 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 71003917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).