(2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C22H22F6N2O — CID 134957426

IUPAC(2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@](CC(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C22H22F6N2O/c1-19(2)12-20(13-21(23,24)25,15-7-4-3-5-8-15)30(14-19)18(31)29-17-10-6-9-16(11-17)22(26,27)28/h3-11H,12-14H2,1-2H3,(H,29,31)/t20-/m1/s1
InChIKeyAIZPPPKYLMEWLB-HXUWFJFHSA-N
MW444.42 g/mol
LogP6.82
Rot. Bonds3

About (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

(2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 134957426) has the molecular formula C22H22F6N2O and a molecular weight of 444.42 g/mol. Its IUPAC name is (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID134957426
Molecular FormulaC22H22F6N2O
Molecular Weight444.42 g/mol
Exact Mass444.16
IUPAC Name(2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@](CC(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C22H22F6N2O/c1-19(2)12-20(13-21(23,24)25,15-7-4-3-5-8-15)30(14-19)18(31)29-17-10-6-9-16(11-17)22(26,27)28/h3-11H,12-14H2,1-2H3,(H,29,31)/t20-/m1/s1
InChIKeyAIZPPPKYLMEWLB-HXUWFJFHSA-N
XLogP6.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.42
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 16562
CL 277082
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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-phenylurea
CID 24768227
3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
CID 24768228
N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
1-Cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea
CID 294966
1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-methylphenyl)-
CID 1225695
2-Methyl-1-(N-(3-trifluoromethylphenyl)carbamoyl)piperidine
CID 310447

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 134957426) is (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is CC1(C)CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@](CC(F)(F)F)(c2ccccc2)C1.
What is the InChIKey of (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is AIZPPPKYLMEWLB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22F6N2O/c1-19(2)12-20(13-21(23,24)25,15-7-4-3-5-8-15)30(14-19)18(31)29-17-10-6-9-16(11-17)22(26,27)28/h3-11H,12-14H2,1-2H3,(H,29,31)/t20-/m1/s1.
What are the key properties of (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 6.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-dimethyl-2-phenyl-2-(2,2,2-trifluoroethyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134957426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).