(2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide

C21H24F2N2O — CID 146169848

IUPAC(2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccccc2)[C@](CC(F)F)(c2ccccc2)C1
InChIInChI=1S/C21H24F2N2O/c1-20(2)14-21(13-18(22)23,16-9-5-3-6-10-16)25(15-20)19(26)24-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyARCCQGCWOHTAAF-NRFANRHFSA-N
MW358.43 g/mol
LogP5.50
Rot. Bonds4

About (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide

(2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide (PubChem CID 146169848) has the molecular formula C21H24F2N2O and a molecular weight of 358.43 g/mol. Its IUPAC name is (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide
PubChem CID146169848
Molecular FormulaC21H24F2N2O
Molecular Weight358.43 g/mol
Exact Mass358.19
IUPAC Name(2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2ccccc2)[C@](CC(F)F)(c2ccccc2)C1
InChIInChI=1S/C21H24F2N2O/c1-20(2)14-21(13-18(22)23,16-9-5-3-6-10-16)25(15-20)19(26)24-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyARCCQGCWOHTAAF-NRFANRHFSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide (CID 146169848) is (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide is CC1(C)CN(C(=O)Nc2ccccc2)[C@](CC(F)F)(c2ccccc2)C1.
What is the InChIKey of (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide?
The InChIKey is ARCCQGCWOHTAAF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24F2N2O/c1-20(2)14-21(13-18(22)23,16-9-5-3-6-10-16)25(15-20)19(26)24-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide?
(2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-difluoroethyl)-4,4-dimethyl-N,2-diphenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 146169848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).