Basic information
- Standard SMILES
CCOC(=O)CC(N)Cc1ccc(-c2cccc(Cl)c2)cc1F- InChIKey
VBYJTXFFERREKC-UHFFFAOYSA-N- Molecular formula
- C18H19ClFNO2
- Average molar mass
- 335.8 g/mol
- Monoisotopic mass
- 335.1088347
Names & identifiers
- Preferred name
- Ethyl 3-amino-4-(3'-chloro-3-fluorobiphenyl-4-yl)butanoate
- IUPAC
- ethyl 3-amino-4-[4-(3-chlorophenyl)-2-fluorophenyl]butanoate
Names & synonyms
SCHEMBL2872765VBYJTXFFERREKC-UHFFFAOYSA-Nethyl 3-amino-4-(3'-chloro-3-fluorobiphenyl-4-yl)butanoate
Database identifiers
- PubChem CID
- 59607761
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
3 records
Compound notes
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