(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C27H20ClF6NO2 — CID 59153204

IUPAC(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESC[C@@H](CC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClF6NO2/c1-16(17-5-9-21(28)10-6-17)13-19-15-24(18-3-2-4-23(14-18)37-27(32,33)34)35(25(19)36)22-11-7-20(8-12-22)26(29,30)31/h2-12,14-16,24H,13H2,1H3/t16-,24+/m0/s1
InChIKeyROKNFVNQJGLEPG-UPCLLVRISA-N
MW539.90 g/mol
LogP8.47
Rot. Bonds6

About (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 59153204) has the molecular formula C27H20ClF6NO2 and a molecular weight of 539.90 g/mol. Its IUPAC name is (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID59153204
Molecular FormulaC27H20ClF6NO2
Molecular Weight539.90 g/mol
Exact Mass539.11
IUPAC Name(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESC[C@@H](CC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H20ClF6NO2/c1-16(17-5-9-21(28)10-6-17)13-19-15-24(18-3-2-4-23(14-18)37-27(32,33)34)35(25(19)36)22-11-7-20(8-12-22)26(29,30)31/h2-12,14-16,24H,13H2,1H3/t16-,24+/m0/s1
InChIKeyROKNFVNQJGLEPG-UPCLLVRISA-N
XLogP8.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.90
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-phenyl-4-[(2S)-2-phenylpropyl]-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 58129489
(5R)-3-[(1R)-1-(4-chlorophenyl)ethyl]imino-5-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 91513411
1-(4-chlorophenyl)-4-[[(1R)-1-phenylethyl]amino]-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-2H-pyrrol-5-one
CID 87523134
(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 70821754
(2R)-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-4-[2-[2-(trifluoromethyl)pyrimidin-4-yl]propan-2-ylamino]-2H-pyrrol-5-one
CID 86650870
(2S)-2-(3,5-difluorophenyl)-1-phenyl-4-[(2S)-2-phenylpropyl]-2H-pyrrol-5-one
CID 58129488
1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 145417064
(3R,5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
CID 24989714
2-(3-ethylphenyl)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 68633859
2-[3-(difluoromethoxy)phenyl]-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one
CID 58129512
1-[4-(difluoromethoxy)phenyl]-4-(1-phenylethylamino)-2-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 77201391
(2R)-4-(2-phenylethylamino)-2-[3-(2,2,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 87581414

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 59153204) is (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is C[C@@H](CC1=C[C@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is ROKNFVNQJGLEPG-UPCLLVRISA-N. The full InChI is InChI=1S/C27H20ClF6NO2/c1-16(17-5-9-21(28)10-6-17)13-19-15-24(18-3-2-4-23(14-18)37-27(32,33)34)35(25(19)36)22-11-7-20(8-12-22)26(29,30)31/h2-12,14-16,24H,13H2,1H3/t16-,24+/m0/s1.
What are the key properties of (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 539.90 g/mol, XLogP of 8.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 59153204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).