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S-23

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CID

24892822
CAS

1010396-29-8
InChI

InChI=1S/C18H13ClF4N2O3/c1-17(27, 9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21, 22)23/h2-7, 27H, 9H2, 1H3, (H, 25, 26)/t17-/m0/s1
InChIKey

SSFVOEAXHZGTRJ-KRWDZBQOSA-N
Isomeric SMILES

C[C@](COC1=CC(=C(C=C1)Cl)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
Canonical SMILES

CC(COC1=CC(=C(C=C1)Cl)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
IUPAC Name

(2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
Molecular Formula

C18H13ClF4N2O3
Molecular Weight

416.8
Monoisotopic Mass

416.0550826
Polar Area

82.4
Complexity

611
XLogP

3.7
Heavy Atom Count

28
Hydrogen Bond Donor Count

2
Hydrogen Bond Acceptor Count

8
Rotatable Bond Count

5
Physical Appearance

Clear Liquid
Stability

Room Temperature

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