(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C26H22F3NO — CID 58129489

IUPAC(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESC[C@@H](CC1=C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C26H22F3NO/c1-18(19-9-4-2-5-10-19)15-21-17-24(20-11-8-12-22(16-20)26(27,28)29)30(25(21)31)23-13-6-3-7-14-23/h2-14,16-18,24H,15H2,1H3/t18-,24-/m0/s1
InChIKeyFTTPHICVLHDMQG-UUOWRZLLSA-N
MW421.46 g/mol
LogP6.91
Rot. Bonds5

About (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 58129489) has the molecular formula C26H22F3NO and a molecular weight of 421.46 g/mol. Its IUPAC name is (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID58129489
Molecular FormulaC26H22F3NO
Molecular Weight421.46 g/mol
Exact Mass421.17
IUPAC Name(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESC[C@@H](CC1=C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C26H22F3NO/c1-18(19-9-4-2-5-10-19)15-21-17-24(20-11-8-12-22(16-20)26(27,28)29)30(25(21)31)23-13-6-3-7-14-23/h2-14,16-18,24H,15H2,1H3/t18-,24-/m0/s1
InChIKeyFTTPHICVLHDMQG-UUOWRZLLSA-N
XLogP6.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one
CID 58129488
(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 59153204
1-[4-(difluoromethoxy)phenyl]-4-(1-phenylethylamino)-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 77201391
3-phenyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 78769873
2-[3-(difluoromethoxy)phenyl]-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one
CID 58129512
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25071743
3-acetyl-4-hydroxy-2-phenyl-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 5236060
3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25069515
1-(2-phenylpropoxy)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 18884587
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 5435305
1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 782196
1-(4-chlorophenyl)-4-[[(1R)-1-phenylethyl]amino]-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2H-pyrrol-5-one
CID 87523134

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 58129489) is (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is C[C@@H](CC1=C[C@@H](c2cccc(C(F)(F)F)c2)N(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is FTTPHICVLHDMQG-UUOWRZLLSA-N. The full InChI is InChI=1S/C26H22F3NO/c1-18(19-9-4-2-5-10-19)15-21-17-24(20-11-8-12-22(16-20)26(27,28)29)30(25(21)31)23-13-6-3-7-14-23/h2-14,16-18,24H,15H2,1H3/t18-,24-/m0/s1.
What are the key properties of (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 421.46 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 58129489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).