3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C25H27F3N2O2 — CID 58218820

IUPAC3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2(C3CCC3)CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H27F3N2O2/c1-15-10-19(25(26,27)28)12-20(11-15)29-23(32)24(18-8-5-9-18)13-21(31)30(14-24)22-16(2)6-4-7-17(22)3/h4,6-7,10-12,18H,5,8-9,13-14H2,1-3H3,(H,29,32)
InChIKeyMRCXVHJWWTYFIM-UHFFFAOYSA-N
MW444.50 g/mol
LogP5.79
Rot. Bonds4

About 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 58218820) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID58218820
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2(C3CCC3)CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H27F3N2O2/c1-15-10-19(25(26,27)28)12-20(11-15)29-23(32)24(18-8-5-9-18)13-21(31)30(14-24)22-16(2)6-4-7-17(22)3/h4,6-7,10-12,18H,5,8-9,13-14H2,1-3H3,(H,29,32)
InChIKeyMRCXVHJWWTYFIM-UHFFFAOYSA-N
XLogP5.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 58218820) is 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2(C3CCC3)CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MRCXVHJWWTYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c1-15-10-19(25(26,27)28)12-20(11-15)29-23(32)24(18-8-5-9-18)13-21(31)30(14-24)22-16(2)6-4-7-17(22)3/h4,6-7,10-12,18H,5,8-9,13-14H2,1-3H3,(H,29,32).
What are the key properties of 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2,6-dimethylphenyl)-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 58218820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).