[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C15H13FN2O5 — CID 7880328

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ccccc1F
InChIInChI=1S/C15H13FN2O5/c16-10-4-1-2-5-11(10)18-13(19)9-23-14(20)8-17-15(21)12-6-3-7-22-12/h1-7H,8-9H2,(H,17,21)(H,18,19)
InChIKeyAZYCNLLXLGIIHM-UHFFFAOYSA-N
MW320.28 g/mol
LogP1.33
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7880328) has the molecular formula C15H13FN2O5 and a molecular weight of 320.28 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID7880328
Molecular FormulaC15H13FN2O5
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)c1ccco1)Nc1ccccc1F
InChIInChI=1S/C15H13FN2O5/c16-10-4-1-2-5-11(10)18-13(19)9-23-14(20)8-17-15(21)12-6-3-7-22-12/h1-7H,8-9H2,(H,17,21)(H,18,19)
InChIKeyAZYCNLLXLGIIHM-UHFFFAOYSA-N
XLogP1.33
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluoroanilino)-2-oxoethyl]furan-2-carboxamide
CID 771844
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 2427987
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875456
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879587
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-carbonylamino)acetate
CID 7880281
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 46791532
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 7880328) is [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is AZYCNLLXLGIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5/c16-10-4-1-2-5-11(10)18-13(19)9-23-14(20)8-17-15(21)12-6-3-7-22-12/h1-7H,8-9H2,(H,17,21)(H,18,19).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 320.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7880328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).