[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

C18H19FN2O5 — CID 2403716

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19FN2O5/c1-11(2)16(21-17(23)14-7-4-8-25-14)18(24)26-10-15(22)20-13-6-3-5-12(19)9-13/h3-9,11,16H,10H2,1-2H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyWROXFPULHUHXJY-INIZCTEOSA-N
MW362.36 g/mol
LogP2.36
Rot. Bonds7

About [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate

[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (PubChem CID 2403716) has the molecular formula C18H19FN2O5 and a molecular weight of 362.36 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
PubChem CID2403716
Molecular FormulaC18H19FN2O5
Molecular Weight362.36 g/mol
Exact Mass362.13
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H19FN2O5/c1-11(2)16(21-17(23)14-7-4-8-25-14)18(24)26-10-15(22)20-13-6-3-5-12(19)9-13/h3-9,11,16H,10H2,1-2H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyWROXFPULHUHXJY-INIZCTEOSA-N
XLogP2.36
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate (CID 2403716) is [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
The InChIKey is WROXFPULHUHXJY-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN2O5/c1-11(2)16(21-17(23)14-7-4-8-25-14)18(24)26-10-15(22)20-13-6-3-5-12(19)9-13/h3-9,11,16H,10H2,1-2H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate?
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate has a molecular weight of 362.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate is sourced from PubChem (CID 2403716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).