Basic information
- Standard SMILES
CCOC(=O)c1cc(F)c(C2CNCC2NC(=O)OC(C)(C)C)cc1F- InChIKey
XSOUUIKMVVLCGE-UHFFFAOYSA-N- Molecular formula
- C18H24F2N2O4
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-tert-Butoxycarbonylaminopyrrolidin-4-yl)-2,5-difluorobenzoic acid ethyl ester
- IUPAC
- ethyl 2,5-difluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]benzoate
Names & synonyms
SCHEMBL4526351XSOUUIKMVVLCGE-UHFFFAOYSA-N4-(3-tert-Butoxycarbonylaminopyrrolidin-4-yl)-2,5-difluorobenzoic acid ethyl ester
Database identifiers
- PubChem CID
- 69079207
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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