(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C17H13ClF3NO2 — CID 70821754

IUPAC(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3NO2/c18-12-4-6-13(7-5-12)22-15(8-9-16(22)23)11-2-1-3-14(10-11)24-17(19,20)21/h1-7,10,15H,8-9H2/t15-/m1/s1
InChIKeyJKAMGPKJUNPVCR-OAHLLOKOSA-N
MW355.74 g/mol
LogP5.11
Rot. Bonds3

About (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 70821754) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID70821754
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3NO2/c18-12-4-6-13(7-5-12)22-15(8-9-16(22)23)11-2-1-3-14(10-11)24-17(19,20)21/h1-7,10,15H,8-9H2/t15-/m1/s1
InChIKeyJKAMGPKJUNPVCR-OAHLLOKOSA-N
XLogP5.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.74
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2R)-1-(4-chlorophenyl)-5-oxopyrrolidin-2-yl]phenoxy]acetonitrile
CID 59485674
(5R)-3-[(1R)-1-(4-chlorophenyl)ethyl]imino-5-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 91513411
(3R,5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
CID 24989714
(5S)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 86337135
1-(4-chlorophenyl)-4-(methoxymethyl)-4-methyl-3-(4-methylphenyl)-5-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 145417064
(2R)-4-[(2S)-2-(4-chlorophenyl)propyl]-2-[3-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 59153204
1-(4-methylphenyl)-3-(4-methylphenyl)imino-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 90760164
5-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one
CID 123998416
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
CID 145417086
3-[3-(trifluoromethoxy)phenyl]cycloheptan-1-one
CID 64506215
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 70821754) is (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is O=C1CC[C@H](c2cccc(OC(F)(F)F)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is JKAMGPKJUNPVCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c18-12-4-6-13(7-5-12)22-15(8-9-16(22)23)11-2-1-3-14(10-11)24-17(19,20)21/h1-7,10,15H,8-9H2/t15-/m1/s1.
What are the key properties of (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
(5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 355.74 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 70821754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).