(2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide

C19H17F4NO3 — CID 71283499

IUPAC(2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C(=O)N[C@@H]1c2cc(F)ccc2C[C@@H]1O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H17F4NO3/c1-27-18(19(21,22)23,12-5-3-2-4-6-12)17(26)24-16-14-10-13(20)8-7-11(14)9-15(16)25/h2-8,10,15-16,25H,9H2,1H3,(H,24,26)/t15-,16+,18-/m0/s1
InChIKeySPCZGIGSGBJLLO-JZXOWHBKSA-N
MW383.34 g/mol
LogP3.00
Rot. Bonds4

About (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide

(2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide (PubChem CID 71283499) has the molecular formula C19H17F4NO3 and a molecular weight of 383.34 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide
PubChem CID71283499
Molecular FormulaC19H17F4NO3
Molecular Weight383.34 g/mol
Exact Mass383.11
IUPAC Name(2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide
SMILESCO[C@](C(=O)N[C@@H]1c2cc(F)ccc2C[C@@H]1O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H17F4NO3/c1-27-18(19(21,22)23,12-5-3-2-4-6-12)17(26)24-16-14-10-13(20)8-7-11(14)9-15(16)25/h2-8,10,15-16,25H,9H2,1H3,(H,24,26)/t15-,16+,18-/m0/s1
InChIKeySPCZGIGSGBJLLO-JZXOWHBKSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide (CID 71283499) is (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide is CO[C@](C(=O)N[C@@H]1c2cc(F)ccc2C[C@@H]1O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide?
The InChIKey is SPCZGIGSGBJLLO-JZXOWHBKSA-N. The full InChI is InChI=1S/C19H17F4NO3/c1-27-18(19(21,22)23,12-5-3-2-4-6-12)17(26)24-16-14-10-13(20)8-7-11(14)9-15(16)25/h2-8,10,15-16,25H,9H2,1H3,(H,24,26)/t15-,16+,18-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide?
(2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide has a molecular weight of 383.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-N-[(1R,2S)-6-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 71283499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).