[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate

C16H14F2N2O4 — CID 8987469

IUPAC[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
SMILESC[C@@H](OC(=O)Cn1ccccc1=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O4/c1-10(16(23)19-13-8-11(17)5-6-12(13)18)24-15(22)9-20-7-3-2-4-14(20)21/h2-8,10H,9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyVJGHIOCENDBGNY-SNVBAGLBSA-N
MW336.29 g/mol
LogP1.70
Rot. Bonds5

About [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate

[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8987469) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8987469
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
SMILESC[C@@H](OC(=O)Cn1ccccc1=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H14F2N2O4/c1-10(16(23)19-13-8-11(17)5-6-12(13)18)24-15(22)9-20-7-3-2-4-14(20)21/h2-8,10H,9H2,1H3,(H,19,23)/t10-/m1/s1
InChIKeyVJGHIOCENDBGNY-SNVBAGLBSA-N
XLogP1.70
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate (CID 8987469) is [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate is C[C@@H](OC(=O)Cn1ccccc1=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is VJGHIOCENDBGNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-10(16(23)19-13-8-11(17)5-6-12(13)18)24-15(22)9-20-7-3-2-4-14(20)21/h2-8,10H,9H2,1H3,(H,19,23)/t10-/m1/s1.
What are the key properties of [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 336.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8987469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).