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

C25H21F2NO — CID 58129488

IUPAC(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one
SMILESC[C@@H](CC1=C[C@@H](c2cc(F)cc(F)c2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C25H21F2NO/c1-17(18-8-4-2-5-9-18)12-20-15-24(19-13-21(26)16-22(27)14-19)28(25(20)29)23-10-6-3-7-11-23/h2-11,13-17,24H,12H2,1H3/t17-,24-/m0/s1
InChIKeyCHZGYBBPRQVGAG-XDHUDOTRSA-N
MW389.45 g/mol
LogP6.17
Rot. Bonds5

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

(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one (PubChem CID 58129488) has the molecular formula C25H21F2NO and a molecular weight of 389.45 g/mol. Its IUPAC name is (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one
PubChem CID58129488
Molecular FormulaC25H21F2NO
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one
SMILESC[C@@H](CC1=C[C@@H](c2cc(F)cc(F)c2)N(c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C25H21F2NO/c1-17(18-8-4-2-5-9-18)12-20-15-24(19-13-21(26)16-22(27)14-19)28(25(20)29)23-10-6-3-7-11-23/h2-11,13-17,24H,12H2,1H3/t17-,24-/m0/s1
InChIKeyCHZGYBBPRQVGAG-XDHUDOTRSA-N
XLogP6.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 58129489
(2S)-1-[4-(difluoromethoxy)phenyl]-2-(3,5-difluorophenyl)-4-[[(1R)-1-phenylethyl]amino]-2H-pyrrol-5-one
CID 66936906
(2R)-1-[4-(difluoromethoxy)phenyl]-2-(3,5-difluorophenyl)-4-[[(1R)-1-phenylethyl]amino]-2H-pyrrol-5-one
CID 66936936
1-[4-(difluoromethoxy)phenyl]-2-(3,5-difluorophenyl)-4-[[(1R)-1-phenylethyl]amino]-2H-pyrrol-5-one
CID 66936905
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
(2S)-3-(4-fluorophenyl)-2-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 40651160
2-[3-(difluoromethoxy)phenyl]-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one
CID 58129512
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
4-fluoro-3,3-dimethyl-1-phenylazetidin-2-one
CID 67692307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one (CID 58129488) is (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one is C[C@@H](CC1=C[C@@H](c2cc(F)cc(F)c2)N(c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one?
The InChIKey is CHZGYBBPRQVGAG-XDHUDOTRSA-N. The full InChI is InChI=1S/C25H21F2NO/c1-17(18-8-4-2-5-9-18)12-20-15-24(19-13-21(26)16-22(27)14-19)28(25(20)29)23-10-6-3-7-11-23/h2-11,13-17,24H,12H2,1H3/t17-,24-/m0/s1.
What are the key properties of (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one?
(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one has a molecular weight of 389.45 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one is sourced from PubChem (CID 58129488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).