2-({4-[(2,2-Difluorocyclopropyl)methoxy]benzoyl}amino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Basic information
- Standard SMILES
O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1ccc(OCC2CC2(F)F)cc1- InChIKey
HFFFUKQGSCBOIG-UHFFFAOYSA-N- Molecular formula
- C21H18F5NO5
- Average molar mass
- 459.4 g/mol
Names & identifiers
- Preferred name
- 2-({4-[(2,2-Difluorocyclopropyl)methoxy]benzoyl}amino)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
- IUPAC
- 2-[[4-[(2,2-difluorocyclopropyl)methoxy]benzoyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Names & synonyms
2-({4-[(2,2-difluorocyclopropyl)methoxy]benzoyl}amino)-3-[4-(trifluoromethoxy)phenyl]propanoic acidSCHEMBL4364402
Database identifiers
- PubChem CID
- 69017378
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 657
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Related reactions
2 records
Compound notes
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