2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one

C26H22F4N2O — CID 58129464

IUPAC2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one
SMILESCC(C)(CC1=CC(c2ccccc2F)N(c2ccccc2)C1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H22F4N2O/c1-25(2,22-13-8-14-23(31-22)26(28,29)30)16-17-15-21(19-11-6-7-12-20(19)27)32(24(17)33)18-9-4-3-5-10-18/h3-15,21H,16H2,1-2H3
InChIKeyLMSRSJXPAQYGHA-UHFFFAOYSA-N
MW454.47 g/mol
LogP6.62
Rot. Bonds5

About 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one

2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one (PubChem CID 58129464) has the molecular formula C26H22F4N2O and a molecular weight of 454.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one
PubChem CID58129464
Molecular FormulaC26H22F4N2O
Molecular Weight454.47 g/mol
Exact Mass454.17
IUPAC Name2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one
SMILESCC(C)(CC1=CC(c2ccccc2F)N(c2ccccc2)C1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H22F4N2O/c1-25(2,22-13-8-14-23(31-22)26(28,29)30)16-17-15-21(19-11-6-7-12-20(19)27)32(24(17)33)18-9-4-3-5-10-18/h3-15,21H,16H2,1-2H3
InChIKeyLMSRSJXPAQYGHA-UHFFFAOYSA-N
XLogP6.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one (CID 58129464) is 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one is CC(C)(CC1=CC(c2ccccc2F)N(c2ccccc2)C1=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one?
The InChIKey is LMSRSJXPAQYGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N2O/c1-25(2,22-13-8-14-23(31-22)26(28,29)30)16-17-15-21(19-11-6-7-12-20(19)27)32(24(17)33)18-9-4-3-5-10-18/h3-15,21H,16H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one?
2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one has a molecular weight of 454.47 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-[2-methyl-2-[6-(trifluoromethyl)-2-pyridinyl]propyl]-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 58129464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).