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

C23H24F3NO3 — CID 10364767

IUPAC(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H24F3NO3/c1-29-20-11-6-15(12-21(20)30-19-4-2-3-5-19)16-13-22(28)27(14-16)18-9-7-17(8-10-18)23(24,25)26/h6-12,16,19H,2-5,13-14H2,1H3/t16-/m0/s1
InChIKeyQQTHZCDOZGBKAO-INIZCTEOSA-N
MW419.44 g/mol
LogP5.56
Rot. Bonds5

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

(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 10364767) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID10364767
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCOc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H24F3NO3/c1-29-20-11-6-15(12-21(20)30-19-4-2-3-5-19)16-13-22(28)27(14-16)18-9-7-17(8-10-18)23(24,25)26/h6-12,16,19H,2-5,13-14H2,1H3/t16-/m0/s1
InChIKeyQQTHZCDOZGBKAO-INIZCTEOSA-N
XLogP5.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.56
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-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 10364767) is (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is COc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2)cc1OC1CCCC1.
What is the InChIKey of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is QQTHZCDOZGBKAO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-29-20-11-6-15(12-21(20)30-19-4-2-3-5-19)16-13-22(28)27(14-16)18-9-7-17(8-10-18)23(24,25)26/h6-12,16,19H,2-5,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 419.44 g/mol, XLogP of 5.56, 5 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-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10364767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).