(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C26H24F4N2O2 — CID 25107857

IUPAC(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1C[C@H](c2cccc(OCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C26H24F4N2O2/c1-17(18-6-3-2-4-7-18)31-23-15-24(19-8-5-9-22(14-19)34-16-27)32(25(23)33)21-12-10-20(11-13-21)26(28,29)30/h2-14,17,23-24,31H,15-16H2,1H3/t17-,23-,24-/m1/s1
InChIKeyVIZNNWKKQKFIOX-UOKFIYJESA-N
MW472.48 g/mol
LogP6.21
Rot. Bonds7

About (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 25107857) has the molecular formula C26H24F4N2O2 and a molecular weight of 472.48 g/mol. Its IUPAC name is (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID25107857
Molecular FormulaC26H24F4N2O2
Molecular Weight472.48 g/mol
Exact Mass472.18
IUPAC Name(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESC[C@@H](N[C@@H]1C[C@H](c2cccc(OCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1
InChIInChI=1S/C26H24F4N2O2/c1-17(18-6-3-2-4-7-18)31-23-15-24(19-8-5-9-22(14-19)34-16-27)32(25(23)33)21-12-10-20(11-13-21)26(28,29)30/h2-14,17,23-24,31H,15-16H2,1H3/t17-,23-,24-/m1/s1
InChIKeyVIZNNWKKQKFIOX-UOKFIYJESA-N
XLogP6.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 25107857) is (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is C[C@@H](N[C@@H]1C[C@H](c2cccc(OCF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1.
What is the InChIKey of (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is VIZNNWKKQKFIOX-UOKFIYJESA-N. The full InChI is InChI=1S/C26H24F4N2O2/c1-17(18-6-3-2-4-7-18)31-23-15-24(19-8-5-9-22(14-19)34-16-27)32(25(23)33)21-12-10-20(11-13-21)26(28,29)30/h2-14,17,23-24,31H,15-16H2,1H3/t17-,23-,24-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 472.48 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 25107857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).