Methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[[4-(trifluoromethoxy)phenyl]amino]propanoate
Basic information
- CAS
5771-50-6- Standard SMILES
COC(=O)C(NC(=O)c1ccco1)(Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F- InChIKey
MFUIUEQCPGQJSV-UHFFFAOYSA-N- Molecular formula
- C16H12F6N2O5
- Average molar mass
- 426.27 g/mol
- Monoisotopic mass
- 426.06504046
Names & identifiers
- Preferred name
- Methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[[4-(trifluoromethoxy)phenyl]amino]propanoate
- IUPAC
- methyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoate
Names & synonyms
5771-50-6METHYL 3,3,3-TRIFLUORO-2-(FURAN-2-CARBONYLAMINO)-2-[[4-(TRIFLUOROMETHOXY)PHENYL]AMINO]PROPANOATEmethyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-[4-(trifluoromethoxy)anilino]propanoateDTXSID70411129STK765667AKOS001754556AKOS022015044ST038330EU-0086181SR-01000534543SR-01000534543-1Methyl 3,3,3-trifluoro-2-(furan-2-carboxamido)-N-[4-(trifluoromethoxy)phenyl]alaninate
Show more names
Methyl 3,3,3-trifluoro-2-[(furan-2-carbonyl)amino]-N-[4-(trifluoromethoxy)phenyl]alaninatemethyl 3,3,3-trifluoro-N-2-furoyl-2-{[4-(trifluoromethoxy)phenyl]amino}alaninatemethyl 3,3,3-trifluoro-2-(2-furylcarbonylamino)-2-{[4-(trifluoromethoxy)phenyl ]amino}propanoatemethyl 3,3,3-trifluoro-N-(furan-2-ylcarbonyl)-2-{[4-(trifluoromethoxy)phenyl]amino}alaninate
Database identifiers
- CAS
5771-50-6- PubChem CID
- 5222164
- DTXSID
DTXSID70411129
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
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Compound notes
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