3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide

C14H23F2N3O2 — CID 167481526

IUPAC3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC1CN(C(=O)CNC(=O)N2CCC(F)(F)C2)CC1(C)C
InChIInChI=1S/C14H23F2N3O2/c1-10-7-19(8-13(10,2)3)11(20)6-17-12(21)18-5-4-14(15,16)9-18/h10H,4-9H2,1-3H3,(H,17,21)
InChIKeyAITORQHNFWSTJO-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.54
Rot. Bonds2

About 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide

3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 167481526) has the molecular formula C14H23F2N3O2 and a molecular weight of 303.35 g/mol. Its IUPAC name is 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID167481526
Molecular FormulaC14H23F2N3O2
Molecular Weight303.35 g/mol
Exact Mass303.18
IUPAC Name3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC1CN(C(=O)CNC(=O)N2CCC(F)(F)C2)CC1(C)C
InChIInChI=1S/C14H23F2N3O2/c1-10-7-19(8-13(10,2)3)11(20)6-17-12(21)18-5-4-14(15,16)9-18/h10H,4-9H2,1-3H3,(H,17,21)
InChIKeyAITORQHNFWSTJO-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
2,2,2-trifluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]acetamide
CID 166123893
N-butan-2-ylformamide;3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide;ethane;2-methylpropane
CID 167481525
2-(2-Methylpropyl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83254440
2-(2-Methylpropyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260848
3-(2,2-Difluoroethyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83271376
(3R)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 97023650
(3S)-3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 97023651
1-Methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113230184
1-[(3-Methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one;hydrochloride
CID 120905299
1-[(3-Methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 120905300
3-[2-Oxo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 138024977

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 167481526) is 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide is CC1CN(C(=O)CNC(=O)N2CCC(F)(F)C2)CC1(C)C.
What is the InChIKey of 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is AITORQHNFWSTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O2/c1-10-7-19(8-13(10,2)3)11(20)6-17-12(21)18-5-4-14(15,16)9-18/h10H,4-9H2,1-3H3,(H,17,21).
What are the key properties of 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide?
3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 167481526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).