[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate

C20H16FNO4 — CID 51508279

IUPAC[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESO=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H16FNO4/c21-16-10-8-14(9-11-16)13-22-19(23)18(15-5-2-1-3-6-15)26-20(24)17-7-4-12-25-17/h1-12,18H,13H2,(H,22,23)/t18-/m0/s1
InChIKeyMEYWQHCMLCYLEN-SFHVURJKSA-N
MW353.35 g/mol
LogP3.63
Rot. Bonds6

About [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate

[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate (PubChem CID 51508279) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
PubChem CID51508279
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
SMILESO=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H16FNO4/c21-16-10-8-14(9-11-16)13-22-19(23)18(15-5-2-1-3-6-15)26-20(24)17-7-4-12-25-17/h1-12,18H,13H2,(H,22,23)/t18-/m0/s1
InChIKeyMEYWQHCMLCYLEN-SFHVURJKSA-N
XLogP3.63
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
CID 648857
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[(1S)-1-(4-fluorophenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] furan-2-carboxylate
CID 1470209
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)propanoate
CID 46795944
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 2342352

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
The IUPAC name of [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate (CID 51508279) is [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate.
What is the SMILES notation for [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
The canonical SMILES for [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate is O=C(O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccc1)c1ccco1.
What is the InChIKey of [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
The InChIKey is MEYWQHCMLCYLEN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-10-8-14(9-11-16)13-22-19(23)18(15-5-2-1-3-6-15)26-20(24)17-7-4-12-25-17/h1-12,18H,13H2,(H,22,23)/t18-/m0/s1.
What are the key properties of [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate?
[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate is sourced from PubChem (CID 51508279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).