[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate

C16H15FN2O4 — CID 8987436

IUPAC[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
SMILESC[C@H](OC(=O)Cn1ccccc1=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H15FN2O4/c1-11(16(22)18-13-6-4-5-12(17)9-13)23-15(21)10-19-8-3-2-7-14(19)20/h2-9,11H,10H2,1H3,(H,18,22)/t11-/m0/s1
InChIKeyDLJUDTKJCCWIAY-NSHDSACASA-N
MW318.30 g/mol
LogP1.56
Rot. Bonds5

About [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate

[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate (PubChem CID 8987436) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
PubChem CID8987436
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
SMILESC[C@H](OC(=O)Cn1ccccc1=O)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H15FN2O4/c1-11(16(22)18-13-6-4-5-12(17)9-13)23-15(21)10-19-8-3-2-7-14(19)20/h2-9,11H,10H2,1H3,(H,18,22)/t11-/m0/s1
InChIKeyDLJUDTKJCCWIAY-NSHDSACASA-N
XLogP1.56
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate
CID 8987469
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063535
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46622589
2-O-[1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505644
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383536
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384497
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 8577668
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 46619358
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9064137
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 42937435

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
The IUPAC name of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate (CID 8987436) is [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
The canonical SMILES for [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate is C[C@H](OC(=O)Cn1ccccc1=O)C(=O)Nc1cccc(F)c1.
What is the InChIKey of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
The InChIKey is DLJUDTKJCCWIAY-NSHDSACASA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-11(16(22)18-13-6-4-5-12(17)9-13)23-15(21)10-19-8-3-2-7-14(19)20/h2-9,11H,10H2,1H3,(H,18,22)/t11-/m0/s1.
What are the key properties of [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate?
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate has a molecular weight of 318.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 8987436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).