The molecular formula of the compound is C16H23FN2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 294.36 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is tert-butyl (2R)-2-[(2-fluoroanilino)methyl]pyrrolidine-1-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-10-6-7-12(19)11-18-14-9-5-4-8-13(14)17/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3/t12-/m1/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is JMBRJZPOMZWSJC-GFCCVEGCSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)OC(=O)N1CCCC1CNC2=CC=CC=C2F.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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