1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one

C26H22F3NO4 — CID 58915236

IUPAC1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1ccc(-c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H22F3NO4/c1-17(31)30-24(14-15-25(30)32)21-6-4-19(5-7-21)20-8-12-22(13-9-20)33-16-18-2-10-23(11-3-18)34-26(27,28)29/h2-13,24H,14-16H2,1H3
InChIKeyLAMSXXBIPHOOIV-UHFFFAOYSA-N
MW469.46 g/mol
LogP6.04
Rot. Bonds6

About 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one

1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one (PubChem CID 58915236) has the molecular formula C26H22F3NO4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one
PubChem CID58915236
Molecular FormulaC26H22F3NO4
Molecular Weight469.46 g/mol
Exact Mass469.15
IUPAC Name1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one
SMILESCC(=O)N1C(=O)CCC1c1ccc(-c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)cc1
InChIInChI=1S/C26H22F3NO4/c1-17(31)30-24(14-15-25(30)32)21-6-4-19(5-7-21)20-8-12-22(13-9-20)33-16-18-2-10-23(11-3-18)34-26(27,28)29/h2-13,24H,14-16H2,1H3
InChIKeyLAMSXXBIPHOOIV-UHFFFAOYSA-N
XLogP6.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one (CID 58915236) is 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one is CC(=O)N1C(=O)CCC1c1ccc(-c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)cc1.
What is the InChIKey of 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one?
The InChIKey is LAMSXXBIPHOOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3NO4/c1-17(31)30-24(14-15-25(30)32)21-6-4-19(5-7-21)20-8-12-22(13-9-20)33-16-18-2-10-23(11-3-18)34-26(27,28)29/h2-13,24H,14-16H2,1H3.
What are the key properties of 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one?
1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one has a molecular weight of 469.46 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 58915236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).