[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate

C21H17F2NO5 — CID 167980898

IUPAC[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C21H17F2NO5/c1-13(24-20(25)19-7-4-10-27-19)21(26)28-12-14-8-9-18(16(23)11-14)29-17-6-3-2-5-15(17)22/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyGMLILXQBXUIUQF-ZDUSSCGKSA-N
MW401.37 g/mol
LogP4.21
Rot. Bonds7

About [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate

[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 167980898) has the molecular formula C21H17F2NO5 and a molecular weight of 401.37 g/mol. Its IUPAC name is [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID167980898
Molecular FormulaC21H17F2NO5
Molecular Weight401.37 g/mol
Exact Mass401.11
IUPAC Name[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1
InChIInChI=1S/C21H17F2NO5/c1-13(24-20(25)19-7-4-10-27-19)21(26)28-12-14-8-9-18(16(23)11-14)29-17-6-3-2-5-15(17)22/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m0/s1
InChIKeyGMLILXQBXUIUQF-ZDUSSCGKSA-N
XLogP4.21
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate with MolForge

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Related Compounds

[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
CID 110788942
(3-fluoro-4-methoxyphenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887523
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 51485714
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 32739273
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738121
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 39968538
(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 24530129

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate (CID 167980898) is [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)OCc1ccc(Oc2ccccc2F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is GMLILXQBXUIUQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17F2NO5/c1-13(24-20(25)19-7-4-10-27-19)21(26)28-12-14-8-9-18(16(23)11-14)29-17-6-3-2-5-15(17)22/h2-11,13H,12H2,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
[3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 401.37 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-fluorophenoxy)phenyl]methyl (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 167980898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).