Basic information
- Standard SMILES
CCOC(=O)c1cc(F)c(N2CCC(NC(=O)OC(C)(C)C)C2)cc1F- InChIKey
JAPFJWKJDHOMGJ-UHFFFAOYSA-N- Molecular formula
- C18H24F2N2O4
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-tert-Butoxycarbonylaminopyrrolidin-1-yl)-2,5-difluorobenzoic acid ethyl ester
- IUPAC
- ethyl 2,5-difluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate
Names & synonyms
SCHEMBL4515184JAPFJWKJDHOMGJ-UHFFFAOYSA-N4-(3-tert-Butoxycarbonylaminopyrrolidin-1-yl)-2,5-difluorobenzoic acid ethyl ester4-[3-(tert-Butoxycarbonylamino)-pyrrolidin-1-yl]-2,5-difluorobenzoic acid ethyl ester
Database identifiers
- PubChem CID
- 69075102
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Related reactions
5 records
Compound notes
Loading…