General Information of the Compound
Compound ID
CP0278060
Compound Name
(2S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
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Structure
Formula
C14H14F4N2O2
Molecular Weight
318.27
Canonical SMILES
CN1[C@@H](CCC1=O)C(=O)NCc1cccc(c1F)C(F)(F)F
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InChI
InChI=1S/C14H14F4N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
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InChIKey
FSTPGTUPFFEIFL-JTQLQIEISA-N
Physicochemical Property
logP
2.0815
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 67460623
ChEMBL ID
CHEMBL2218191