(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

C24H26F3NO3 — CID 10224810

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H26F3NO3/c1-30-21-10-9-17(12-22(21)31-20-7-2-3-8-20)18-13-23(29)28(15-18)14-16-5-4-6-19(11-16)24(25,26)27/h4-6,9-12,18,20H,2-3,7-8,13-15H2,1H3/t18-/m0/s1
InChIKeyRQHRQSRXGACTHJ-SFHVURJKSA-N
MW433.47 g/mol
LogP5.55
Rot. Bonds6

About (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 10224810) has the molecular formula C24H26F3NO3 and a molecular weight of 433.47 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID10224810
Molecular FormulaC24H26F3NO3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H26F3NO3/c1-30-21-10-9-17(12-22(21)31-20-7-2-3-8-20)18-13-23(29)28(15-18)14-16-5-4-6-19(11-16)24(25,26)27/h4-6,9-12,18,20H,2-3,7-8,13-15H2,1H3/t18-/m0/s1
InChIKeyRQHRQSRXGACTHJ-SFHVURJKSA-N
XLogP5.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one (CID 10224810) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is RQHRQSRXGACTHJ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26F3NO3/c1-30-21-10-9-17(12-22(21)31-20-7-2-3-8-20)18-13-23(29)28(15-18)14-16-5-4-6-19(11-16)24(25,26)27/h4-6,9-12,18,20H,2-3,7-8,13-15H2,1H3/t18-/m0/s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 433.47 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 10224810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).