[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate

C19H20FNO5 — CID 42920881

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate
SMILESCC(=O)c1cc(CCC(=O)OC(C)C(=O)Nc2ccccc2F)oc1C
InChIInChI=1S/C19H20FNO5/c1-11(22)15-10-14(25-12(15)2)8-9-18(23)26-13(3)19(24)21-17-7-5-4-6-16(17)20/h4-7,10,13H,8-9H2,1-3H3,(H,21,24)
InChIKeyYYJQEXOXWUJGOV-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.43
Rot. Bonds7

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate (PubChem CID 42920881) has the molecular formula C19H20FNO5 and a molecular weight of 361.37 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate
PubChem CID42920881
Molecular FormulaC19H20FNO5
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate
SMILESCC(=O)c1cc(CCC(=O)OC(C)C(=O)Nc2ccccc2F)oc1C
InChIInChI=1S/C19H20FNO5/c1-11(22)15-10-14(25-12(15)2)8-9-18(23)26-13(3)19(24)21-17-7-5-4-6-16(17)20/h4-7,10,13H,8-9H2,1-3H3,(H,21,24)
InChIKeyYYJQEXOXWUJGOV-UHFFFAOYSA-N
XLogP3.43
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
CID 42968708
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 46789645
3-(4-acetyl-5-methylfuran-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 9455254
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384094
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977630
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7624047
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718260
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384506
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 26012153
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-phenylpropanoate
CID 7654630

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate (CID 42920881) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate is CC(=O)c1cc(CCC(=O)OC(C)C(=O)Nc2ccccc2F)oc1C.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate?
The InChIKey is YYJQEXOXWUJGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5/c1-11(22)15-10-14(25-12(15)2)8-9-18(23)26-13(3)19(24)21-17-7-5-4-6-16(17)20/h4-7,10,13H,8-9H2,1-3H3,(H,21,24).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate has a molecular weight of 361.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-acetyl-5-methylfuran-2-yl)propanoate is sourced from PubChem (CID 42920881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).